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Compound Detail

CHEMBL596811

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Cc1cc(C)nc(SCC(=O)c2ccc3c(c2)OCO3)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL596811
Phase Preclinical
Structure Type MOL
InChI Key JXQZKLGNFTXIKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
2.80
ALogP
6
HBA
0
HBD
61.3
PSA (Ų)
0.49
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 C15H14N2O3S
MW 302.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.35

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