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Compound Detail

CHEMBL5956984

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N#CCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL5956984
Phase Preclinical
Structure Type MOL
InChI Key AYWDEVRGCGMAIG-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.9
MW (Da)
2.68
ALogP
6
HBA
3
HBD
123.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClN7O
MW 423.91
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.02

Activity Summary

IC50 3 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 7.92 7.92 12.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine