Molecule Details
| InChIKey | ZIAOVIPSKUPPQW-UHFFFAOYSA-N |
|---|---|
| Canonical SMILES | Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O |
| Clinical Status | Data-mined Candidate |
| Targets (Human+Pathogen) | 2 |
| Pfam Stratification | Homologous |
| Avg pChEMBL | 7.54 |
| Source | BindingDB;ChEMBL |
2D Structure
Activity Profile
DrugBank Annotations
| DrugBank ID | DB12301 |
|---|---|
| Drug Name | Doravirine |
| CAS Number | 1338225-97-0 |
| Groups | approved investigational |
| ATC Codes | J05AR24 J05AG06 |
| Description | Doravirine is an HIV-1 non-nucleoside reverse transcriptase inhibitor (NNRTI) intended to be administered in combination with other antiretroviral medicines.[L12729,L4562] Doravirine is available by itself or as a combination product of doravirine (100 mg), lamivudine (300 mg), and tenofovir disopro... |
Categories: Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals used in combination for the treatment of HIV infections Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 Substrates Direct Acting Antivirals Human Immunodeficiency Virus 1 Non-Nucleoside Analog Reverse Transcriptase Inhibitor Non-Nucleoside Reverse Transcriptase Inhibitors Nonnucleoside Reverse Transcriptase Inhibitors Pyridines
Cross-references: BindingDB: 50508293 CHEMBL2364608 ChemSpider: 28424197 Drugs Product Database (DPD): 23001 PDB: 2KW PubChem:58460047 PubChem:347828567 RxCUI: 2055755 Wikipedia: Doravirine ZINC: ZINC000072317283