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Compound Detail

CHEMBL4075996

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COc1ccc2sc(C(=O)NCc3cccnc3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4075996
Phase Preclinical
Structure Type MOL
InChI Key AXBQNDAQBOWQEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
3.23
ALogP
4
HBA
1
HBD
51.2
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 C16H14N2O2S
MW 298.37
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.98

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