S-1360

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: W7KQU075CV

Structure
InChI Key HFHDGHOGHWXXDT-ZSOIEALJSA-N
Smile O=C(/C=C(\O)c1nc[nH]n1)c1ccc(Cc2ccc(F)cc2)o1
InChI
InChI=1S/C16H12FN3O3/c17-11-3-1-10(2-4-11)7-12-5-6-15(23-12)13(21)8-14(22)16-18-9-19-20-16/h1-6,8-9,22H,7H2,(H,18,19,20)/b14-8-

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H12FN3O3
Molecular Weight 313.29
AlogP 2.91
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 92.01
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Human immunodeficiency virus type 1 integrase inhibitor PubMed Other PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 20-11000 - - -

Indications

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

Cross References

Resources Reference
ChEMBL CHEMBL218227
DrugBank DB16032
FDA SRS W7KQU075CV
PubChem 6451047
SureChEMBL SCHEMBL10070153
ZINC ZINC000100406242
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