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Compound Detail

CHEMBL314162

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Clc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1Cl

Basic Information

ChEMBL ID CHEMBL314162
Phase Preclinical
Structure Type MOL
InChI Key KLIKGXAAXNGCHA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

365.3
MW (Da)
6.72
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14Cl2N2
MW 365.26
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.80

Activity Summary

IC50 1 meas. best 7.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL4825
IC50 7.52 7.52 30.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 30.0 nM 7.52 Inhibitory potency evaluated against rat p38 kinase 9873604

Literature References

PubMed DOI Target Context # Activities
9873604 10.1016/s0960-894x(98)00495-8 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine