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Compound Detail

CHEMBL2376907

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Cc1cccc(CC(=O)Nc2cnn(-c3cccc(C(=O)NC4CCOC(C)(C)C4)c3)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2376907
Phase Preclinical
Structure Type MOL
InChI Key VJVCWOPLMGRPFP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
4.05
ALogP
5
HBA
2
HBD
85.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H30N4O3
MW 446.55
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.61

Activity Summary

IC50 1 meas. best 5.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
 IC50 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 10 IC50 = 1100.0 nM 5.96 Inhibition of JNK3 (unknown origin)-mediated ATF2 Thr71 phosphorylation by HTRF ... 23518277

Literature References

PubMed DOI Target Context # Activities
23518277 10.1016/j.bmcl.2013.02.082 Unchecked 1
23518277 10.1016/j.bmcl.2013.02.082 Mitogen-activated protein kinase 8 1
23518277 10.1016/j.bmcl.2013.02.082 Mitogen-activated protein kinase 10 1

Data from ChEMBL 36 via Core Engine