Doravirine

• 常用名: Doravirine
• 英文名: Doravirine
• CAS号: 1338225-97-0
• 分子量: 425.749
• 密度: 1.6±0.1 g/cm3
• 沸点: N/A
• 分子式: C₁₇H₁₁ClF₃N₅O₃
• 熔点: N/A
• 闪点: N/A

Doravirine用途

Doravirine是一种新型的非核苷的HIV- 1逆转录酶抑制剂.

Doravirine名称

• 中文名: 3-氯-5-((1-((4-甲基-5-氧代-4,5-二氢-1H-1,2,4-噻唑-3-基)甲基)-2-氧代-4-(三氟甲基)-1,2-二氢吡啶-3-基)氧基)苯甲腈
• 英文名: 3-chloro-5-[1-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)pyridin-3-yl]oxybenzonitrile

Doravirine生物活性

• 描述: Doravirine是一种新型的非核苷的HIV- 1逆转录酶抑制剂.
• 相关类别:
  信号通路 >> 抗感染 >> HIV
  研究领域 >> 感染
• 参考文献:

  [1]. Feng M et al. Doravirine Suppresses Common Nonnucleoside Reverse Transcriptase Inhibitor-Associated Mutants at Clinically Relevant Concentrations. Antimicrob Agents Chemother. 2016 Mar 25;60(4):2241-7.

  [2]. Lai MT et al. In vitro characterization of MK-1439, a novel HIV-1 nonnucleoside reverse transcriptase inhibitor. Antimicrob Agents Chemother. 2014;58(3):1652-63.

  [3]. Anderson MS et al. Safety, tolerability and pharmacokinetics of doravirine, a novel HIV non-nucleoside reverse transcriptase inhibitor, after single and multiple doses in healthy subjects. Antivir Ther. 2015;20(4):397-405.

Doravirine物理化学性质

• 密度: 1.6±0.1 g/cm3
• 分子式: C₁₇H₁₁ClF₃N₅O₃
• 分子量: 425.749
• 精确质量: 425.050262
• PSA: 105.96000
• LogP: 3.01
• InChIKey: ZIAOVIPSKUPPQW-UHFFFAOYSA-N
• SMILES: Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O
• 折射率: 1.631
• 储存条件: 2-8℃

Doravirine靶点实验

查看更多实验

实验名称：Drug metabolism in human hepatocytes assessed as drug turnover at 1 uM after 60 mins 来源：ChEMBL 靶标：Hepatocyte External Id：CHEMBL3118737

实验名称：Drug metabolism in human liver microsomes assessed as drug turnover at 1 uM after 30 ... 来源：ChEMBL 靶标：Liver microsome External Id：CHEMBL3118738

实验名称：Antiviral activity against HIV1 RES056 infected in human MT4 cells assessed as protec... 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL4833208

实验名称：Antiviral activity against HIV1 3B infected in human MT4 cells assessed as protection... 来源：ChEMBL 靶标：Human immunodeficiency virus 1 External Id：CHEMBL4833207

实验名称：Selectivity index, ratio of CC50 for mock-infected human MT4 cells to EC50 for HIV1 R... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4833211

实验名称：Selectivity index, ratio of CC50 for mock-infected human MT4 cells to EC50 for HIV1 3... 来源：ChEMBL 靶标：N/A External Id：CHEMBL4833210

实验名称：Cytotoxicity against mock-infected human MT4 cells assessed as reduction in cell viab... 来源：ChEMBL 靶标：MT4 External Id：CHEMBL4833209

实验名称：Clearance in Beagle dog at 0.5 mg/kg, iv administered in 60% PEG200 and 1 mg/kg, po a... 来源：ChEMBL 靶标：Canis lupus familiaris External Id：CHEMBL3118755

实验名称：Volume of distribution in Beagle dog at 0.5 mg/kg, iv administered in 60% PEG200 and ... 来源：ChEMBL 靶标：Canis lupus familiaris External Id：CHEMBL3118757

实验名称：NCATS anti-infectives library activity on HEK293 viability as a counter-qHTS vs the C... 来源：NCGC 靶标：N/A External Id：adst_HEK293_Anti-infectives-02

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Doravirine英文别名

• Doravirine
• mk-1439
• MK1439
• 3-Chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydro-3-pyridinyl}oxy)benzonitrile