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Compound Detail

CHEMBL368455

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Cc1cccc(-c2[nH]c3nc(N)ccc3c2-c2ccc3c(c2)n(C)c(=O)n3C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL368455
Phase Preclinical
Structure Type MOL
InChI Key MDQGEYVQDGVWGG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

383.5
MW (Da)
3.98
ALogP
5
HBA
2
HBD
81.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N5O
MW 383.46
Aromatic Rings 5
Heavy Atoms 29
NP-Likeness -0.66

Activity Summary

IC50 1 meas. best 6.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 6.58 6.58 260.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 260.0 nM 6.58 Inhibitory activity against mitogen activated protein (MAP) kinase p38 alpha. 15012994

Literature References

PubMed DOI Target Context # Activities
15012994 10.1016/j.bmcl.2003.12.023 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine