efavirenz   Click here for help

GtoPdb Ligand ID: 11287

Synonyms: DMP-266 | DMP266 | EFV | L-743,726 | L-743726 | Stocrin® | Sustiva®
Approved drug PDB Ligand
efavirenz is an approved drug (FDA (1998), EMA (1999))
Compound class: Synthetic organic
Comment: Efavirenz is an antiviral drug that is used in the treatment of HIV. It is a synthetic non-nucleoside inhibitor (NNRTI) that binds to the HIV RNA-dependent DNA polymerase and thereby blocks viral DNA replication [6].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 38.33
Molecular weight 315.03
XLogP 4.63
No. Lipinski's rules broken 0
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Canonical SMILES FC([C@@]1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F
Isomeric SMILES FC([C@@]1(C#CC2CC2)OC(=O)Nc2c1cc(Cl)cc2)(F)F
InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1998), EMA (1999))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
Click to view more information about the WHO Model Lists of Essential Medicines.
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
7718 efavirenz
Synonyms Click here for help
DMP-266 | DMP266 | EFV | L-743,726 | L-743726 | Stocrin® | Sustiva®
Database Links Click here for help
BindingDB Ligand 2483
CAS Registry No. 154598-52-4 (source: PubChem)
ChEMBL Ligand CHEMBL223228
DrugBank Ligand DB00625
DrugCentral Ligand 989
GtoPdb PubChem SID 434321722
PubChem CID 64139
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UniChem Compound Search for chemical match using the InChIKey XPOQHMRABVBWPR-ZDUSSCGKSA-N
UniChem Connectivity Search for chemical match using the InChIKey XPOQHMRABVBWPR-ZDUSSCGKSA-N