MK-4965
Modify Date: 2026-08-03 14:57:20
MK-4965 structure
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Common Name | MK-4965 | ||
|---|---|---|---|---|
| CAS Number | 920035-77-4 | Molecular Weight | 426.26 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C20H13Cl2N5O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of MK-4965MK-4965 is a nonnucleoside reverse transcriptase inhibitor (NNRTI). MK-4965 displays excellent activities against not only HIV-1 wild-type (WT) virus but also against a broad panel of NNRTI-resistant viruses and can be used for the research of HIV-1 infection[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile |
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This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | MK-4965 is a nonnucleoside reverse transcriptase inhibitor (NNRTI). MK-4965 displays excellent activities against not only HIV-1 wild-type (WT) virus but also against a broad panel of NNRTI-resistant viruses and can be used for the research of HIV-1 infection[1]. |
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| Related Catalog | |
| Target |
IC50: 0.23 nM (WT), 0.39 nM (Y181C), 0.40 nM (K103N)[1] |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C20H13Cl2N5O2 |
|---|---|
| Molecular Weight | 426.26 |
| Exact Mass | 425.04500 |
| PSA | 110.57000 |
| LogP | 5.01998 |
| InChIKey | KXDIHAQCVNNLIB-UHFFFAOYSA-N |
| SMILES | N#Cc1cc(Cl)cc(Oc2cc(OCc3[nH]nc4nc(N)ccc34)ccc2Cl)c1 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Half life in Beagle dog at 10 mg/kg, po and 2 mg/kg, iv
Source: ChEMBL
Target: Canis lupus familiaris
External Id: CHEMBL1941763
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Name: Half life in Sprague-Dawley rat at 10 mg/kg, po and 3 mg/kg, iv
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL1941762
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Name: Plasma protein binding in HIV1 infected patient
Source: ChEMBL
Target: Plasma
External Id: CHEMBL1661358
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Name: Cytotoxicity against human MT4 cells up to 8.3 uM
Source: ChEMBL
Target: MT4
External Id: CHEMBL1930129
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Name: Plasma clearance in Sprague-Dawley rat at 10 mg/kg, po and 3 mg/kg, iv
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL1941755
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Name: Antiviral activity against Human immunodeficiency virus expressing wild type RT infec...
Source: ChEMBL
Target: Human immunodeficiency virus
External Id: CHEMBL1930128
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Name: Selectivity ratio of IC50 for HIV1 isolate R8 reverse transcriptase K103N mutant to I...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1661350
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Name: Plasma clearance in Beagle dog at 10 mg/kg, po and 2 mg/kg, iv
Source: ChEMBL
Target: Canis lupus familiaris
External Id: CHEMBL1941756
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Name: Selectivity ratio of IC50 for HIV1 isolate R8 reverse transcriptase Y181C mutant to I...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1661351
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Name: Resistant ratio of IC50 for HIV 1 reverse transcriptase Y181C mutant to IC50 for wild...
Source: ChEMBL
Target: N/A
External Id: CHEMBL2150637
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile? |
| A: InChIKey of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile is KXDIHAQCVNNLIB-UHFFFAOYSA-N. |
| Q: What is the SMILES notation of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile? |
| A: SMILES notation of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile is N#Cc1cc(Cl)cc(Oc2cc(OCc3[nH]nc4nc(N)ccc34)ccc2Cl)c1. |
| Q: What is the molecular formula of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile? |
| A: Molecular formula of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile is C20H13Cl2N5O2. |
| Q: What is the polar surface area (PSA) of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile? |
| A: Polar surface area (PSA) of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile is 110.57000. |
| Q: What are the uses of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile? |
| A: Main uses of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile: MK-4965 is a nonnucleoside reverse transcriptase inhibitor (NNRTI). MK-4965 displays excellent activities against not only HIV-1 wild-type (WT) virus but also against a broad panel of NNRTI-resistant viruses and can be used for the research of HIV-1 infection[1]. |
| Q: What is the molecular weight of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile? |
| A: Molecular weight of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile is 426.26. |
| Q: What is the English name of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile? |
| A: The English name of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile is 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile. |
| Q: What is the LogP of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile? |
| A: LogP of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile is 5.01998. |
| Q: What is the CAS number of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile? |
| A: CAS number of 3-{5-[(6-Amino-1H-pyrazolo[3,4-b]pyridin-3-yl)methoxy]-2-chloroph enoxy}-5-chlorobenzonitrile is 920035-77-4. |
| Q: What is the Chinese name of 920035-77-4? |
| A: Chinese name of 920035-77-4 is 920035-77-4. |