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Compound Detail

CHEMBL185567

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Cc1ccc(NC(=O)c2ccnc(N3CCOCC3)c2)cc1Nc1cc(Cl)ncn1

Basic Information

ChEMBL ID CHEMBL185567
Phase Preclinical
Structure Type MOL
InChI Key UURBRQUGNHSRTR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

424.9
MW (Da)
3.67
ALogP
7
HBA
2
HBD
92.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21ClN6O2
MW 424.89
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.21

Activity Summary

IC50 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.62 6.62 240.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15454232 10.1016/j.bmcl.2004.08.007 Mitogen-activated protein kinase 14 1
15454232 10.1016/j.bmcl.2004.08.007 Homo sapiens 1

Data from ChEMBL 36 via Core Engine