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Compound Detail

CHEMBL2376921

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Cc1cccc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5C)ccc43)c2)c1

Basic Information

ChEMBL ID CHEMBL2376921
Phase Preclinical
Structure Type MOL
InChI Key MUYNRPQLJUZJIU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
6.64
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.33
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H24N4O
MW 432.53
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.94

Activity Summary

IC50 1 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 6.6 6.6 250.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine