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Compound Detail

CHEMBL4064365

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COc1ccc2sc(C(=O)NCc3ccco3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4064365
Phase Preclinical
Structure Type MOL
InChI Key HKHSNWXPKVTVFH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

287.3
MW (Da)
3.43
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.80
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 C15H13NO3S
MW 287.34
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.00

Literature References

PubMed DOI Target Context # Activities
28561591 10.1021/acs.jmedchem.6b01915 Dual specificity protein kinase CLK1 2

Data from ChEMBL 36 via Core Engine