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Compound Detail

CHEMBL6010915

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NC1(C(=O)N[C@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1

Basic Information

ChEMBL ID CHEMBL6010915
Phase Preclinical
Structure Type MOL
InChI Key JDUBGYFRJFOXQC-QGZVFWFLSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.9
MW (Da)
2.15
ALogP
6
HBA
4
HBD
120.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClN6O2
MW 428.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.60

Activity Summary

IC50 4 meas. best 8.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 8.49 7.395 3.2 4

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine