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Compound Detail

CHEMBL3946152

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Cn1c(NC(C)(C)C)nc2c(-c3cc4c([nH]3)C3(CC3)NC4=O)cccc2c1=O

Basic Information

ChEMBL ID CHEMBL3946152
Phase Preclinical
Structure Type MOL
InChI Key BGXXCYLUQOQXBF-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
2.87
ALogP
5
HBA
3
HBD
91.8
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5O2
MW 377.45
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.41

Activity Summary

IC50 3 meas. best 9.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 9.74 9.74 0.2 2
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 9.39 9.39 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine