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Compound Detail

CHEMBL6061476

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C[C@H](NC(=O)C1(CN)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL6061476
Phase Preclinical
Structure Type MOL
InChI Key WIOQKVBIOWBQKL-AWEZNQCLSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

412.9
MW (Da)
3.03
ALogP
5
HBA
3
HBD
99.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClN6O
MW 412.93
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.06

Activity Summary

IC50 3 meas. best 8.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 8.92 8.92 1.2 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine