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Compound Detail

CHEMBL355529

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Cc1cccc(-c2nc[nH]c2-c2ccc3c(c2)n(C)c(=O)n3C)c1

Basic Information

ChEMBL ID CHEMBL355529
Phase Preclinical
Structure Type MOL
InChI Key KNUMVWSAHPBUMT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
3.24
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N4O
MW 318.38
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15012994 10.1016/j.bmcl.2003.12.023 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine