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
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
3.6-2441000 1.3-273000 - 300-1685000 48-100
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily
- 101-57900 - - -
Enzyme Transferase
- - - - -36.16-16.23
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -75.42-7.27
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 294600 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
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 DB08311
DrugCentral 1904
EPA CompTox DTXSID7031797
FDA SRS 99DK7FVK1H
Human Metabolome Database HMDB14383
KEGG C07263
PDB NVP
PharmGKB PA450616
PubChem 4463
SureChEMBL SCHEMBL3318
ZINC ZINC000000004778
CONTENTS