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Compound Detail

CHEMBL1736529

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O=C(O)c1ccc(CSc2nc3c(c(=O)[nH]2)CCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1736529
Phase Preclinical
Structure Type MOL
InChI Key UFCNXRFIGHNKSK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

302.4
MW (Da)
2.25
ALogP
4
HBA
2
HBD
83.0
PSA (Ų)
0.67
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 -1.49

Literature References

PubMed DOI Target Context # Activities
22018790 10.1016/j.bmcl.2011.09.077 Collagenase 3 1

Data from ChEMBL 36 via Core Engine