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Compound Detail

CHEMBL1329293

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CCOc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CCO)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1329293
Phase Preclinical
Structure Type MOL
InChI Key KPGOUKKEQDUDBY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

469.5
MW (Da)
2.75
ALogP
7
HBA
3
HBD
134.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N3O6S
MW 469.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.76

Activity Summary

IC50 1 meas. best 5.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
 IC50 5.25 5.25 5586.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 5586.0 nM 5.25 PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... -

Data from ChEMBL 36 via Core Engine