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Compound Detail

CHEMBL5767632

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C[C@H](NC(=O)C1(N)CCN(c2ncnc3[nH]cc(Br)c23)CC1)c1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL5767632
Phase Preclinical
Structure Type MOL
InChI Key OBIJPRUJRILAHD-LBPRGKRZSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

477.8
MW (Da)
3.55
ALogP
5
HBA
3
HBD
99.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22BrClN6O
MW 477.79
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.98

Activity Summary

IC50 3 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 8.4 8.4 4.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine