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Compound Detail

CHEMBL4094143

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COc1ccc2sc(C(=O)NCc3cccc(F)c3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4094143
Phase Preclinical
Structure Type MOL
InChI Key RADHARZXGFWSKO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.98
ALogP
3
HBA
1
HBD
38.3
PSA (Ų)
0.79
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 C17H14FNO2S
MW 315.37
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.09

Literature References

PubMed DOI Target Context # Activities
28561591 10.1021/acs.jmedchem.6b01915 Dual specificity protein kinase CLK1/CLK4 18
28561591 10.1021/acs.jmedchem.6b01915 Dual specificity protein kinase CLK1 2
28561591 10.1021/acs.jmedchem.6b01915 T-24 1
28561591 10.1021/acs.jmedchem.6b01915 MDA-MB-231 1
28561591 10.1021/acs.jmedchem.6b01915 T47D 1
28561591 10.1021/acs.jmedchem.6b01915 THP-1 1
28561591 10.1021/acs.jmedchem.6b01915 HepG2 1

Data from ChEMBL 36 via Core Engine