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Compound Detail

CHEMBL3689405

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FC(F)(F)c1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)C2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3689405
Phase Preclinical
Structure Type MOL
InChI Key PLCVJJUVIKQFPG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

360.4
MW (Da)
4.27
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.73
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 C19H19F3N4
MW 360.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.28

Activity Summary

IC50 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 2
CHEMBL2973
 IC50 6.78 6.78 165.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rho-associated protein kinase 2 IC50 = 165.0 nM 6.78 Kinase Inhibition Assay: Inhibition of ROCK2 activity was determined using the I... -

Data from ChEMBL 36 via Core Engine