UC 781

Search structure
Synonyms:
Status: Phase 1
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: L7K247H29H

Structure
InChI Key YZHIXLCGPOTQNB-UHFFFAOYSA-N
Smile CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl
InChI
InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18ClNO2S
Molecular Weight 335.86
AlogP 5.37
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 34.4
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
9-24 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 1 D015658 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL54893
DrugBank DB05871
EPA CompTox DTXSID10170581
FDA SRS L7K247H29H
PDB UC1
SureChEMBL SCHEMBL2670342
ZINC ZINC000006069063
CONTENTS