Chemsrc provides Signaling Pathways's classification. They are divided into Anti-infection, Antibody-drug Conjugate, Apoptosis, Autophagy, Cell Cycle/DNA Damage, Cytoskeleton, Epigenetics, GPCR/G Protein, Immunology/Inflammation, JAK/STAT Signaling, MAPK/ERK Pathway, Membrane Transporter/Ion Channel, Metabolic Enzyme/Protease, Neuronal Signaling, NF-κB, PI3K/Akt/mTOR, PROTAC, Protein Tyrosine Kinase/RTK, Stem Cell/Wnt, TGF-beta/Smad, Vitamin D Related, Others according to their Biological activity.


Anti-infection >
Arenavirus Bacterial CMV Enterovirus Filovirus Fungal HBV HCV HIV HSV Influenza Virus Parasite Reverse Transcriptase RSV SARS-CoV
Antibody-drug Conjugate >
ADC Cytotoxin ADC Linker Drug-Linker Conjugates for ADC PROTAC-linker Conjugate for PAC
Apoptosis >
Apoptosis Bcl-2 Family c-Myc Caspase DAPK Ferroptosis IAP MDM-2/p53 PKD RIP kinase Survivin Thymidylate Synthase TNF Receptor
Autophagy >
Autophagy LRRK2 ULK Mitophagy
Cell Cycle/DNA Damage >
Antifolate APC ATM/ATR Aurora Kinase Casein Kinase CDK Checkpoint Kinase (Chk) CRISPR/Cas9 Deubiquitinase DNA Alkylator/Crosslinker DNA-PK DNA/RNA Synthesis Eukaryotic Initiation Factor (eIF) G-quadruplex Haspin Kinase HDAC HSP IRE1 Kinesin LIM Kinase (LIMK) Microtubule/Tubulin Mps1 Nucleoside Antimetabolite/Analog p97 PAK PARP PERK Polo-like Kinase (PLK) PPAR RAD51 ROCK Sirtuin SRPK Telomerase TOPK Topoisomerase Wee1
Cytoskeleton >
Arp2/3 Complex Dynamin Gap Junction Protein Integrin Kinesin Microtubule/Tubulin Mps1 Myosin PAK
Epigenetics >
AMPK Aurora Kinase DNA Methyltransferase Epigenetic Reader Domain HDAC Histone Acetyltransferase Histone Demethylase Histone Methyltransferase JAK MicroRNA PARP PKC Sirtuin Protein Arginine Deiminase
GPCR/G Protein >
5-HT Receptor Adenosine Receptor Adenylate Cyclase Adiponectin Receptor Adrenergic Receptor Angiotensin Receptor Bombesin Receptor Bradykinin Receptor Cannabinoid Receptor CaSR CCR CGRP Receptor Cholecystokinin Receptor CRFR CXCR Dopamine Receptor EBI2/GPR183 Endothelin Receptor GHSR Glucagon Receptor Glucocorticoid Receptor GNRH Receptor GPCR19 GPR109A GPR119 GPR120 GPR139 GPR40 GPR55 GPR84 Guanylate Cyclase Histamine Receptor Imidazoline Receptor Leukotriene Receptor LPL Receptor mAChR MCHR1 (GPR24) Melatonin Receptor mGluR Motilin Receptor Neurokinin Receptor Neuropeptide Y Receptor Neurotensin Receptor Opioid Receptor Orexin Receptor (OX Receptor) Oxytocin Receptor P2Y Receptor Prostaglandin Receptor Protease-Activated Receptor (PAR) Ras RGS Protein Sigma Receptor Somatostatin Receptor TSH Receptor Urotensin Receptor Vasopressin Receptor Melanocortin Receptor
Immunology/Inflammation >
Aryl Hydrocarbon Receptor CCR Complement System COX CXCR FLAP Histamine Receptor IFNAR Interleukin Related IRAK MyD88 NO Synthase NOD-like Receptor (NLR) PD-1/PD-L1 PGE synthase Salt-inducible Kinase (SIK) SPHK STING Thrombopoietin Receptor Toll-like Receptor (TLR) Arginase
JAK/STAT Signaling >
EGFR JAK Pim STAT
MAPK/ERK Pathway >
ERK JNK KLF MAP3K MAP4K MAPKAPK2 (MK2) MEK Mixed Lineage Kinase MNK p38 MAPK Raf Ribosomal S6 Kinase (RSK)
Membrane Transporter/Ion Channel >
ATP Synthase BCRP Calcium Channel CFTR Chloride Channel CRAC Channel CRM1 EAAT2 GABA Receptor GlyT HCN Channel iGluR Monoamine Transporter Monocarboxylate Transporter Na+/Ca2+ Exchanger Na+/HCO3- Cotransporter Na+/K+ ATPase nAChR NKCC P-glycoprotein P2X Receptor Potassium Channel Proton Pump SGLT Sodium Channel TRP Channel URAT1
Metabolic Enzyme/Protease >
15-PGDH 5 alpha Reductase 5-Lipoxygenase Acetyl-CoA Carboxylase Acyltransferase Adenosine Deaminase Adenosine Kinase Aldehyde Dehydrogenase (ALDH) Aldose Reductase Aminopeptidase Angiotensin-converting Enzyme (ACE) ATGL ATP Citrate Lyase Carbonic Anhydrase Carboxypeptidase Cathepsin CETP COMT Cytochrome P450 Dipeptidyl Peptidase Dopamine β-hydroxylase E1/E2/E3 Enzyme Elastase Enolase FAAH FABP Factor Xa Farnesyl Transferase Fatty Acid Synthase (FAS) FXR Glucokinase GSNOR Gutathione S-transferase HCV Protease Hexokinase HIF/HIF Prolyl-Hydroxylase HIV Integrase HIV Protease HMG-CoA Reductase (HMGCR) HSP Indoleamine 2,3-Dioxygenase (IDO) Isocitrate Dehydrogenase (IDH) Lactate Dehydrogenase LXR MAGL Mineralocorticoid Receptor Mitochondrial Metabolism MMP Nampt NEDD8-activating Enzyme Neprilysin PAI-1 PDHK PGC-1α Phosphatase Phosphodiesterase (PDE) Phospholipase Procollagen C Proteinase Proteasome Pyruvate Kinase RAR/RXR Renin ROR Ser/Thr Protease SGK Stearoyl-CoA Desaturase (SCD) Thrombin Tryptophan Hydroxylase Tyrosinase Xanthine Oxidase
Neuronal Signaling >
5-HT Receptor AChE Adenosine Kinase Amyloid-β Beta-secretase CaMK CGRP Receptor COMT Dopamine Receptor Dopamine Transporter FAAH GABA Receptor GlyT iGluR Imidazoline Receptor mAChR Melatonin Receptor Monoamine Oxidase nAChR Neurokinin Receptor Opioid Receptor Serotonin Transporter γ-secretase
NF-κB >
NF-κB IKK Keap1-Nrf2 MALT1
PI3K/Akt/mTOR >
Akt AMPK ATM/ATR DNA-PK GSK-3 MELK mTOR PDK-1 PI3K PI4K PIKfyve PTEN
PROTAC >
PROTAC E3 Ligase Ligand-Linker Conjugate Ligand for E3 Ligase PROTAC Linker PROTAC-linker Conjugate for PAC
Protein Tyrosine Kinase/RTK >
Ack1 ALK Bcr-Abl BMX Kinase Btk c-Fms c-Kit c-Met/HGFR Discoidin Domain Receptor DYRK EGFR Ephrin Receptor FAK FGFR FLT3 IGF-1R Insulin Receptor IRAK Itk PDGFR PKA Pyk2 ROS Src Syk TAM Receptor Trk Receptor VEGFR
Stem Cell/Wnt >
Casein Kinase ERK Gli GSK-3 Hedgehog Hippo (MST) JAK Notch Oct3/4 PKA Porcupine ROCK sFRP-1 Smo STAT TGF-beta/Smad Wnt YAP β-catenin γ-secretase
TGF-beta/Smad >
TGF-beta/Smad PKC ROCK TGF-β Receptor
Vitamin D Related >
VD/VDR
Others >
Androgen Receptor Aromatase Estrogen Receptor/ERR Progesterone Receptor Thyroid Hormone Receptor Others

Glycine, N-[(1,1-dimethylethoxy)carbonyl]thio-L-phenylalanyl-, methyl ester

Glycine, N-[(1,1-dimethylethoxy)carbonyl]thio-L-phenylalanyl-, methyl ester (compound 3b) is a polypeptide compound containing sulfamide, can be used to synthesis peptide-drug coupling compounds[1].

  • CAS Number: 128421-85-2
  • MF: C17H24N2O4S
  • MW: 352.45
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(+)-SJ733

(+)-SJ733 is a clinical candidate for malaria which can also inhibit Na+-ATPase PfATP4.

  • CAS Number: 1424799-20-1
  • MF: C24H16F4N4O2
  • MW: 468.40
  • Catalog: Parasite
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 599.0±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 316.0±30.1 °C

Palmitoyl pentapeptide-4

Palmitoyl pentapeptide 4 (Matrixyl; Palmitoyl pentapeptide 3; Matrixyl (Palmitoyl Pentapeptide) is a bioactive peptide with anti-ageing effect and has been reported used as a cosmetic ingredient[1]

  • CAS Number: 214047-00-4
  • MF: C39H75N7O10
  • MW: 802.054
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 1120.1±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 631.2±34.3 °C

PROTAC BRD4 Degrader-3

PROTAC BRD4 Degrader-3 (compound 1004.1) is an efficacious PROTAC BRD4 degrader[1].

  • CAS Number: 2313234-00-1
  • MF: C55H65F2N9O9S2
  • MW: 1098.29
  • Catalog: Epigenetic Reader Domain
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Imgatuzumab

Imgatuzumab (RG 7160) is a humanized monoclonal antibody against the EGFR. Imgatuzumab acts as an immunomodulator. Imgatuzumab can be used in research of cancer[1].

  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

m-PEG8-CH2CH2-NHS ester

m-PEG8-CH2CH2-NHS ester is a PEG--based PROTAC linker can be used in the synthesis of PROTACs.

  • CAS Number: 1316189-13-5
  • MF: C24H43NO13
  • MW: 553.597
  • Catalog: PROTAC Linker
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 598.3±60.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 315.7±32.9 °C

GLP-1R modulator C5

GLP-1R modulator C5 is an allosteric modulator enhancing GLP-1 binding to GLP-1R via a transmembrane site (EC50 1.59 ± 0.53 μM).

  • CAS Number: 421578-93-0
  • MF: C24H21NO3
  • MW: 371.43
  • Catalog: Glucagon Receptor
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Macitentan n-butyl analogue

Macitentan n-butyl analogue is a n-butyl analogue of Macitentan. Macitentan is an orally active, non-peptide dual endothelin ETA and ETB receptor antagonist for the potential treatment of idiopathic pulmonary fibrosis (IPF) and pulmonary arterial hypertension (PAH).

  • CAS Number: 556797-16-1
  • MF: C20H21Br2N5O4S
  • MW: 587.285
  • Catalog: Endothelin Receptor
  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 687.3±65.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 369.5±34.3 °C

nicotinoyl azide

Nicotinoyl azide is capable of forming high energy intermediates known to form C-8 adducts with adenosine and guanosine[1].

  • CAS Number: 4013-72-3
  • MF: C6H4N4O
  • MW: 148.12200
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

FGFR2-IN-3

FGFR2-IN-3 is an orally active selective inhibitor of FGFR2[1].

  • CAS Number: 2549174-42-5
  • MF: C28H24FN7O2
  • MW: 509.53
  • Catalog: EGFR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

c16 ceramide

C16-Ceramide is a natural small molecule activating p53 through the direct and selective binding[1].

  • CAS Number: 24696-26-2
  • MF: C34H67NO3
  • MW: 537.90100
  • Catalog: Apoptosis
  • Density: 0.919g/cm3
  • Boiling Point: 675.396ºC at 760 mmHg
  • Melting Point: 94-95ºC
  • Flash Point: 362.267ºC

Secretin (human)

Secretin (28-54), human is a 27-amino acid residue C-terminally amidated peptide, which acts on secretin receptors.

  • CAS Number: 108153-74-8
  • MF: C130H220N44O40
  • MW: 3039.409
  • Catalog: Peptides
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Ganoapplanoid F

Ganoapplanoid F, a highly oxygenated lanostane triterpenoid from Ganoderma applanatum, inhibits lipid accumulation in adipocytes. Ganoapplanoid F can be used for the research of obesity[1].

  • CAS Number: 2758812-34-7
  • MF: C29H38O10
  • MW: 546.61
  • Catalog: Metabolic Disease
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LyP-2

LyP-2 is a peptide that homes to tumor lymphatics. LyP2 homes to lymphatics of C8161 melanomas and cervical carcinomas and K14-HPV16 skin, but not to MDA-MB435 tumors, showing heterogeneity in the molecular markers of tumor cells and lymphatics[1].

  • CAS Number: 850859-24-4
  • MF: C37H69N17O12S2
  • MW: 1008.18
  • Catalog: Cancer
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

N-Formyl-L-leucine

N-Formyl-L-leucine is a leucine derivative[1].

  • CAS Number: 6113-61-7
  • MF: C7H13NO3
  • MW: 159.183
  • Catalog: Others
  • Density: 1.1±0.1 g/cm3
  • Boiling Point: 360.6±25.0 °C at 760 mmHg
  • Melting Point: 142 °C
  • Flash Point: 171.9±23.2 °C

KJ Pyr 9

KJ Pyr 9 is an inhibitor of MYC with a Kd of 6.5 nM in in vitro assay.

  • CAS Number: 581073-80-5
  • MF: C22H15N3O4
  • MW: 385.372
  • Catalog: c-Myc
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 584.4±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 307.2±30.1 °C

4H-Pyrrolo[3,2-d]pyrimidin-4-one,2-amino-3,5-dihydro-

9-Deazaguanine is a nucleoside analog with potent inhibitory activity against purine nucleoside phosphorylase (PNP)[1].

  • CAS Number: 65996-58-9
  • MF: C6H6N4O
  • MW: 150.14
  • Catalog: Others
  • Density: 1.87g/cm3
  • Boiling Point: 452.7ºC at 760mmHg
  • Melting Point: N/A
  • Flash Point: 227.6ºC

Hydroxytyrosol acetate

Hydroxytyrosol acetate is found in the olive oil with an antioxidant activity. Hydroxytyrosol acetate had a weaker DPPH radical scavenging activity than hydroxytyrosol[1].

  • CAS Number: 69039-02-7
  • MF: C10H12O4
  • MW: 196.200
  • Catalog: Others
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 355.9±27.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 141.6±17.2 °C

N-Boc-N-bis(PEG2-OH)

N-Boc-N-bis(PEG2-OH) is a cleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs)[1].

  • CAS Number: 275385-03-0
  • MF: C13H27NO6
  • MW: 293.36
  • Catalog: ADC Linker
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MK-3697

MK-3697 is an isonicotinamide small molecule, acting as a potent and selective Orexin 2 receptor antagonist with Ki = 0.95 nM.IC50 value: 0.95 nM(Ki)Target: Orexin 2 receptor antagonistMK-3697 is a highly potent, orally bioavailable selective orexin 2 receptor antagonists (2-SORAs) that possess acceptable profiles for clinical development. Herein we report additional SAR studies within the “triaryl” amide 2-SORA series focused on improvements in compound stability in acidic media and time-dependent inhibition of CYP3A4. MK-3697 has improved stability and TDI profiles as well as excellent sleep efficacy across species.

  • CAS Number: 1224846-01-8
  • MF: C23H21N5O3S
  • MW: 447.509
  • Catalog: Orexin Receptor (OX Receptor)
  • Density: 1.3±0.1 g/cm3
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

MMPI-1154

MMPI-1154 is a small molecule MMP-2 inhibitor with IC50 of 10/6.6/13/1.8 uM for MMP1/2/9/13, respectively; shows significant cardio-cytoprotecion, significantly decreases infarct size when applied at 1 μM in an ex vivo model for acute myocardial infarction.

  • CAS Number: 1382722-47-5
  • MF: C26H24FN3O3
  • MW: 445.494
  • Catalog: MMP
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

Maohuoside A

Maohuoside A, a single compound isolated from the E. koreanum that potently promotes osteogenesis. Maohuoside A enhances the osteogenesis of bone marrow-derived mesenchymal stem cells via bone morphogenetic protein (BMP) and MAPK signaling pathways[1][2].

  • CAS Number: 128988-55-6
  • MF: C27H32O12
  • MW: 548.536
  • Catalog: Metabolic Disease
  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 838.2±65.0 °C at 760 mmHg
  • Melting Point: 222-224℃
  • Flash Point: 278.8±27.8 °C

picropodophyllol

Picropodophyllol is a triol[1].

  • CAS Number: 3811-15-2
  • MF: C22H26O8
  • MW: 418.44
  • Catalog: Others
  • Density: 1.316±0.06 g/cm3 at 760 mmHg
  • Boiling Point: 592.5±50.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: N/A

Cleroindicin F

Cleroindicin F ((-)-Rengyolone), a cleroindicin, is an antimicrobial agent. Cleroindicin F shows relatively high anticandidal activity against Candida strains with a MIC value down to 12.5 µg/mL[1].

  • CAS Number: 189264-47-9
  • MF: C8H10O3
  • MW: 154.16
  • Catalog: Bacterial
  • Density: 1.4±0.1 g/cm3
  • Boiling Point: 332.9±42.0 °C at 760 mmHg
  • Melting Point: N/A
  • Flash Point: 142.6±21.4 °C

p53 Activator 2

p53 Activator 2 (compound 10ah) intercalats into DNA and results in significant DNA double-strand break.p53 Activator 2 increases the expression of p53, p-p53, CDK4, p21 to cause cell cycle arrest at G2/M phase.p53 Activator 2 induce apoptosis and significantly down-regulates the anti-apoptosis proteins Bcl-2, Bcl-xL and the levels of cyclin B1.p53 Activator 2 has anti-proliferation activity against MGC-803 cells, with an IC50 of 1.73 µM. p53 Activator 2 displays potent anticancer efficiency against MGC-803 xenograft tumors models[1].

  • CAS Number: 2338764-89-7
  • MF: C20H21N5O2
  • MW: 363.41
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

INF 4E

INF4E is a potent NLRP3 inflammasome inhibitor. INF4E inhibits caspase-1 and NLRP3 ATPase activities. INF4E shows protection against the IR-induced myocardial injury and dysfunction[1][2].

  • CAS Number: 88039-46-7
  • MF: C12H13ClO3
  • MW: 240.68300
  • Catalog: NOD-like Receptor (NLR)
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

LL-37 RKS trifluoroacetate salt

LL-37 RKS is an active fragment of LL-37[1].

  • CAS Number: 672345-61-8
  • MF: C169H292N54O45
  • MW:
  • Catalog: Others
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

(6R)-FR054

(6R)-FR054 is an active isomer of FR054. FR054 is an inhibitor of the HBP enzyme PGM3, with a remarkable anti-breast cancer effect. FR054induces endoplasmic reticulum (ER) stress and a ROS-dependent apoptosis[1].

  • CAS Number: 10378-06-0
  • MF: C14H19NO8
  • MW: 329.30300
  • Catalog: Apoptosis
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

2’,3’,5’-Tri-O-benzoyl-2-thiouridine

2’,3’,5’-Tri-O-benzoyl-2-thiouridine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].

  • CAS Number: 21052-18-6
  • MF: C30H24N2O8S
  • MW: 572.59
  • Catalog: Nucleoside Antimetabolite/Analog
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A

PI3K/mTOR Inhibitor-2

PI3K/mTOR Inhibitor-2 is a potent dual pan-PI3K/mTOR inhibitor with IC50s of 3.4/34/16/1 nM for PI3Kα/PI3Kβ/PI3Kδ/PI3Kγ and 4.7 nM for mTOR[1]. Antitumor activity[1].

  • CAS Number: 1848242-58-9
  • MF: C20H13ClF2N4O4S
  • MW: 478.86
  • Catalog: mTOR
  • Density: N/A
  • Boiling Point: N/A
  • Melting Point: N/A
  • Flash Point: N/A