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Compound Detail

CHEMBL2177214

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Cc1ccc(Nc2ccc3c(c2)CCc2ccccc2C3=O)cc1NC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2177214
Phase Preclinical
Structure Type MOL
InChI Key DTUOAUQGMIXDFU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
6.32
ALogP
3
HBA
2
HBD
58.2
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H24N2O2
MW 432.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.90

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 10.0 nM 8.0 Inhibition of MAP kinase p38alpha assessed as phosphorylation of ATF-2 22897496

Literature References

PubMed DOI Target Context # Activities
22897496 10.1021/jm300951u Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine