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Compound Detail

CHEMBL5849470

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

Basic Information

ChEMBL ID CHEMBL5849470
Phase Preclinical
Structure Type MOL
InChI Key LZVWTWAMUBSVKZ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

470.0
MW (Da)
2.29
ALogP
6
HBA
4
HBD
129.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H28ClN7O2
MW 469.98
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.87

Activity Summary

IC50 3 meas. best 8.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 8.38 8.38 4.2 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine