elvitegravir   Click here for help

GtoPdb Ligand ID: 11574

Synonyms: compound 2 [PMID: 18281931] | EVG | GS-9137 | GS9137 | JTK-303 | JTK303 | Vitekta®
Approved drug PDB Ligand
elvitegravir is an approved drug (EMA (2013), FDA (2014), UK (2021))
Compound class: Synthetic organic
Comment: Elvitegravir (GS-9137) is an HIV integrase inhibitor antiretroviral drug [1].
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 88.76
Molecular weight 447.12
XLogP 6.26
No. Lipinski's rules broken 1
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Canonical SMILES OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C
Isomeric SMILES OC[C@@H](n1cc(C(=O)O)c(=O)c2c1cc(OC)c(c2)Cc1cccc(c1F)Cl)C(C)C
InChI InChI=1S/C23H23ClFNO5/c1-12(2)19(11-27)26-10-16(23(29)30)22(28)15-8-14(20(31-3)9-18(15)26)7-13-5-4-6-17(24)21(13)25/h4-6,8-10,12,19,27H,7,11H2,1-3H3,(H,29,30)/t19-/m1/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2013), FDA (2014), UK (2021))
International Nonproprietary Names Click here for help
INN number INN
8871 elvitegravir
Synonyms Click here for help
compound 2 [PMID: 18281931] | EVG | GS-9137 | GS9137 | JTK-303 | JTK303 | Vitekta®
Database Links Click here for help
BindingDB Ligand 50183273
CAS Registry No. 697761-98-1 (source: WHO INN record)
ChEMBL Ligand CHEMBL204656
DrugBank Ligand DB09101
GtoPdb PubChem SID 441604946
PubChem CID 5277135
Search Google for chemical match using the InChIKey JUZYLCPPVHEVSV-LJQANCHMSA-N
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UniChem Compound Search for chemical match using the InChIKey JUZYLCPPVHEVSV-LJQANCHMSA-N
UniChem Connectivity Search for chemical match using the InChIKey JUZYLCPPVHEVSV-LJQANCHMSA-N