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Compound Detail

CHEMBL3747329

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COc1ccc(/C=C/C=C/C(=O)c2cc(C)sc2C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3747329
Phase Preclinical
Structure Type MOL
InChI Key KTAWSCYTUZFCRU-YDFGWWAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
4.83
ALogP
3
HBA
0
HBD
26.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18O2S
MW 298.41
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.34

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00541D RAW264.7 3

Data from ChEMBL 36 via Core Engine