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Compound Detail

CHEMBL367242

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Cc1cccc(-c2nncn2-c2ccc3c(c2)n(C)c(=O)n3C)c1

Basic Information

ChEMBL ID CHEMBL367242
Phase Preclinical
Structure Type MOL
InChI Key VVMJENURPVWBKA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.43
ALogP
6
HBA
0
HBD
57.6
PSA (Ų)
0.57
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 C18H17N5O
MW 319.37
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.86

Activity Summary

IC50 1 meas. best 4.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 4.9 4.9 12500.0 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