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Compound Detail

CHEMBL5773766

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CC1Oc2cnccc2-c2ccc(C(=O)NCc3cccc(C(=O)N(C)C4CC4)c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5773766
Phase Preclinical
Structure Type MOL
InChI Key YRRJBSUMKZSOQJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.5
MW (Da)
4.37
ALogP
4
HBA
1
HBD
71.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H25N3O3
MW 427.50
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 8.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 2
CHEMBL2973
 IC50 8.59 8.59 2.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rho-associated protein kinase 2 IC50 = 2.55 nM 8.59 In Vitro Assay: The effectiveness of compounds of the present invention as ROCK ... -

Data from ChEMBL 36 via Core Engine