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Compound Detail

CHEMBL599967

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Cc1cc(C)nc(SCC(=O)c2cccc(O)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL599967
Phase Preclinical
Structure Type MOL
InChI Key BVILRROQNWDJLL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

274.4
MW (Da)
2.77
ALogP
5
HBA
1
HBD
63.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O2S
MW 274.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.31

Literature References

PubMed DOI Target Context # Activities
20031422 10.1016/j.bmc.2009.12.012 Phospholipase A-2-activating protein 1

Data from ChEMBL 36 via Core Engine