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Compound Detail

CHEMBL212650

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O=C(/C=C/c1cccc2ccccc12)c1ccc(NC(=O)c2cccs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL212650
Phase Preclinical
Structure Type MOL
InChI Key UUBQOMGCLVHKDV-NTCAYCPXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
6.05
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H17NO2S
MW 383.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
16970393 10.1021/jm050761i Huh-7 1
16970393 10.1021/jm050761i HEK-293T 1

Data from ChEMBL 36 via Core Engine