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Compound Detail

CHEMBL369668

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CCn1c(=O)n(CC)c2cc(-c3ocnc3-c3cccc(C)c3)ccc21

Basic Information

ChEMBL ID CHEMBL369668
Phase Preclinical
Structure Type MOL
InChI Key ASOVAAACYBHBLL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
4.47
ALogP
5
HBA
0
HBD
53.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H21N3O2
MW 347.42
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.13

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.1 6.1 800.0 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