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Compound Detail

CHEMBL3696306

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Cn1c(CC(=O)N2CCc3c(Cl)cccc32)nc(N2CCOCC2)cc1=O

Basic Information

ChEMBL ID CHEMBL3696306
Phase Preclinical
Structure Type MOL
InChI Key IXIOWSLIYXIJDD-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

388.9
MW (Da)
1.40
ALogP
6
HBA
0
HBD
67.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21ClN4O3
MW 388.86
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.66

Activity Summary

IC50 2 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 7.38 7.38 42.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine