Molecule Details
InChIKeyNQDJXKOVJZTUJA-UHFFFAOYSA-N
Compound NameNevirapine
Canonical SMILESCc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Cross-Family
Avg pChEMBL6.83
SourceBindingDB;ChEMBL
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB00238
Drug NameNevirapine
CAS Number129618-40-2
Groups approved investigational
ATC Codes J05AG01 J05AR05 J05AR07
DescriptionA potent, non-nucleoside reverse transcriptase inhibitor (NNRTI) used in combination with nucleoside analogues for treatment of Human Immunodeficiency Virus Type 1 (HIV-1) infection and AIDS. Structurally, nevirapine belongs to the dipyridodiazepinone chemical class.

Categories: Anti-HIV Agents Anti-Infective Agents Anti-Retroviral Agents Antiinfectives for Systemic Use Antiviral Agents Antivirals for Systemic Use Antivirals used in combination for the treatment of HIV infections Cytochrome P-450 CYP1A2 Inhibitors Cytochrome P-450 CYP1A2 Inhibitors (weak) Cytochrome P-450 CYP2A6 Substrates Cytochrome P-450 CYP2B6 Inducers Cytochrome P-450 CYP2B6 Inducers (strong) Cytochrome P-450 CYP2B6 Substrates Cytochrome P-450 CYP2C9 Inducers Cytochrome P-450 CYP2C9 Inducers (strength unknown) Cytochrome P-450 CYP2C9 Inhibitors Cytochrome P-450 CYP2C9 Inhibitors (strength unknown) Cytochrome P-450 CYP2C9 Substrates Cytochrome P-450 CYP2D6 Inhibitors Cytochrome P-450 CYP2D6 Inhibitors (weak) Cytochrome P-450 CYP2D6 Substrates Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (weak) Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Cytochrome P-450 Substrates Direct Acting Antivirals Enzyme Inhibitors Hepatotoxic Agents Human Immunodeficiency Virus 1 Non-Nucleoside Analog Reverse Transcriptase Inhibitor Inducers of Drug Clearance Non-Nucleoside Reverse Transcriptase Inhibitors Nonnucleoside Reverse Transcriptase Inhibitors Nucleic Acid Synthesis Inhibitors OCT1 inhibitors Pyridines Reverse Transcriptase Inhibitors
Cross-references: BindingDB: 1434 ChEBI: 63613 CHEMBL57 ChemSpider: 4308 Drugs Product Database (DPD): 11796 C07263 D00435 PDB: NVP PharmGKB: PA450616 PubChem:4463 PubChem:46506789 RxCUI: 53654 Therapeutic Targets Database: DAP000184 Wikipedia: Nevirapine ZINC: ZINC000000004778
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
P03366 gag-pol Human immunodeficiency virus type 1 group M subtype B (isolate BH10) Pathogen PF00540 PF19317 PF00552 PF02022 PF00075 PF00665 PF00077 PF00078 PF06815 PF06817 PF00098 7.1 IC50 BindingDB
Q72874 pol Human immunodeficiency virus type 1 Pathogen PF00077 7.0 IC50 ChEMBL
Q9WKE8 reverse transcriptase Human immunodeficiency virus type 1 Pathogen PF00078 6.4 IC50 BindingDB
DrugBank Target Actions (15)
Target Gene Target Name Action Type
P02768 ALB Albumin binder carriers
P08684 CYP3A4 Cytochrome P450 3A4 inducer enzymes
P11712 CYP2C9 Cytochrome P450 2C9 inducer enzymes
P20813 CYP2B6 Cytochrome P450 2B6 inducer enzymes
P05177 CYP1A2 Cytochrome P450 1A2 inhibitor enzymes
P10635 CYP2D6 Cytochrome P450 2D6 inhibitor enzymes
P08684 CYP3A4 Cytochrome P450 3A4 substrate enzymes
P10635 CYP2D6 Cytochrome P450 2D6 substrate enzymes
P11509 CYP2A6 Cytochrome P450 2A6 substrate enzymes
P20813 CYP2B6 Cytochrome P450 2B6 substrate enzymes
P20815 CYP3A5 Cytochrome P450 3A5 substrate enzymes
P24462 CYP3A7 Cytochrome P450 3A7 substrate enzymes
Q72547 pol Reverse transcriptase/RNaseH inhibitor targets
P03366 gag-pol Gag-Pol polyprotein modulator targets
O15245 SLC22A1 Solute carrier family 22 member 1 inhibitor transporters