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Compound Detail

CHEMBL6016243

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CCN1CCC[C@H]1NC(=O)c1cccc(CNC(=O)c2ccc3c(c2)COc2cnccc2-3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6016243
Phase Preclinical
Structure Type MOL
InChI Key IUWJJQNFKNWIDS-VWLOTQADSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
3.74
ALogP
5
HBA
2
HBD
83.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N4O3
MW 456.55
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 2
CHEMBL2973
 IC50 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rho-associated protein kinase 2 IC50 = 1.5 nM 8.82 In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... -

Data from ChEMBL 36 via Core Engine