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Compound Detail

CHEMBL4756902

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COc1ccc(-c2cc3c(SCC(=O)O)ncnc3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4756902
Phase Preclinical
Structure Type MOL
InChI Key FHYVDMWANHLETI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

332.4
MW (Da)
3.54
ALogP
6
HBA
1
HBD
72.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O3S2
MW 332.41
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
33215924 10.1021/acs.jmedchem.0c01174 Serine/threonine-protein kinase 17B 3
33215924 10.1021/acs.jmedchem.0c01174 Serine/threonine-protein kinase 17A 1

Data from ChEMBL 36 via Core Engine