NEVIRAPINE

Search structure
Synonyms:
Status: Approved (1996)
Entry Type: Small molecule
Molecule Category: Parent
ATC: J05AG01
UNII: 99DK7FVK1H

Structure
InChI Key NQDJXKOVJZTUJA-UHFFFAOYSA-N
Smile Cc1ccnc2c1NC(=O)c1cccnc1N2C1CC1
InChI
InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H14N4O
Molecular Weight 266.3
AlogP 2.65
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 58.12
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 reverse transcriptase inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- - - - 12
Enzyme Hydrolase
4-9590 1-100000 - 300-36000 48-100
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily
- 101-57900 - - -
Enzyme
4-9590 1-100000 - 300-36000 48-100

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 4 D015658 ClinicalTrials
Infections 3 D007239 ClinicalTrials
Acquired Immunodeficiency Syndrome 3 D000163 ClinicalTrials
Tuberculosis 3 D014376 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 63613
ChEMBL CHEMBL57
DrugBank DB00238
DrugCentral 1904
EPA CompTox DTXSID7031797
FDA SRS 99DK7FVK1H
Human Metabolome Database HMDB0014383
KEGG C07263
PDB NVP
PharmGKB PA450616
SureChEMBL SCHEMBL3318
ZINC ZINC000000004778
CONTENTS