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Compound Detail

CHEMBL5864025

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CN(C)c1nc(N2C3CCC2CNC3)nc(Nc2ccc3[nH]ncc3c2)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5864025
Phase Preclinical
Structure Type MOL
InChI Key YRJCLRKUABEIAN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
2.24
ALogP
7
HBA
3
HBD
85.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23FN8
MW 382.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 2
CHEMBL2973
 IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rho-associated protein kinase 2 IC50 = 0.1 nM 10.0 Determination of Compound's ROCK Inhibitory Activity In Vitro (Z'Lyte Assay): Re... -

Data from ChEMBL 36 via Core Engine