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Compound Detail

CHEMBL526101

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Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2onc(C)c2c1

Basic Information

ChEMBL ID CHEMBL526101
Phase Preclinical
Structure Type MOL
InChI Key VXZKEHWWKRMNJU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
4.00
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.80
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 C19H18N2O2
MW 306.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.28

Activity Summary

Ki 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
Ki 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 Ki = 1100.0 nM 5.96 Displacement of fluorescent ATP competitive ligand from p38alpha 18789685

Literature References

PubMed DOI Target Context # Activities
18789685 10.1016/j.bmcl.2008.08.051 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine