Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5287722

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CCC1Oc2cnccc2-c2ccc(C(=O)N[C@@H](C)c3cccc(OC)c3)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5287722
Phase Preclinical
Structure Type MOL
InChI Key TUQZDIZIVRTIGP-UEDXYCIISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

388.5
MW (Da)
5.09
ALogP
4
HBA
1
HBD
60.5
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N2O3
MW 388.47
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 9.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rho-associated protein kinase 2
CHEMBL2973
 IC50 9.74 9.74 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rho-associated protein kinase 2 IC50 = 0.18 nM 9.74 Inhibition of ROCK2 (unknown origin) 34388381

Literature References

PubMed DOI Target Context # Activities
34388381 10.1016/j.ejmech.2021.113742 Rho-associated protein kinase 2 1

Data from ChEMBL 36 via Core Engine