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Compound Detail

CHEMBL152403

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C=C(c1ccccc1C)c1ccc(Nc2ccccc2N)cc1Cl

Basic Information

ChEMBL ID CHEMBL152403
Phase Preclinical
Structure Type MOL
InChI Key INHFBGJAGMGYSQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.9
MW (Da)
6.04
ALogP
2
HBA
2
HBD
38.0
PSA (Ų)
0.57
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 C21H19ClN2
MW 334.85
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.93

Activity Summary

IC50 1 meas. best 5.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 5.81 5.81 1550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
14667219 10.1021/jm030851s MAP kinase p38 2
14667219 10.1021/jm030851s Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine