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Compound Detail

CHEMBL5583840

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Cc1cc(-c2ccnc3[nH]ccc23)ccc1NC(=O)[C@H](N)CC(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5583840
Phase Preclinical
Structure Type MOL
InChI Key MGVHVZYIXARPET-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.85
ALogP
3
HBA
3
HBD
83.8
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 C20H24N4O
MW 336.44
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.64

Activity Summary

IC50 1 meas. best 6.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Citron Rho-interacting kinase
CHEMBL5579
 IC50 6.89 6.89 130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Citron Rho-interacting kinase IC50 = 130.0 nM 6.89 Inhibition of human recombinant CITK kinase domain assessed as phosphorylation o... 38330278

Literature References

PubMed DOI Target Context # Activities
38330278 10.1021/acs.jmedchem.3c01807 Citron Rho-interacting kinase 1

Data from ChEMBL 36 via Core Engine