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Compound Detail

CHEMBL88538

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c1ccc(-c2cc(-c3ccncc3)c(-c3ccncc3)[nH]2)cc1

Basic Information

ChEMBL ID CHEMBL88538
Phase Preclinical
Structure Type MOL
InChI Key JAFCYBMYWOYISM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
4.81
ALogP
2
HBA
1
HBD
41.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3
MW 297.36
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL4825
IC50 5.91 5.91 1220.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 1220.0 nM 5.91 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