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Compound Detail

CHEMBL3696305

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

Basic Information

ChEMBL ID CHEMBL3696305
Phase Preclinical
Structure Type MOL
InChI Key OMJXZMRXCULIQB-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
0.89
ALogP
6
HBA
0
HBD
67.7
PSA (Ų)
0.80
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 C19H21FN4O3
MW 372.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.77

Activity Summary

IC50 2 meas. best 7.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 7.37 7.37 43.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine