ATEVIRDINE MESYLATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N24015WC6D

Structure
InChI Key UCPOMLWZWRTIAA-UHFFFAOYSA-N
Smile CCNc1cccnc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1
InChI
InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H25N5O2
Molecular Weight 379.46
AlogP 2.97
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 73.49
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 reverse transcriptase inhibitor PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 140-10000 - - 92-92
Enzyme Protease Aspartic protease Aspartic protease AA clan Aspartic protease A2A subfamily
- 1320-70200 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 2 D015658 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL280527
DrugBank DB12264
EPA CompTox DTXSID40159940
FDA SRS N24015WC6D
PubChem 60847
SureChEMBL SCHEMBL356038
ZINC ZINC000000597817
CONTENTS