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Compound Detail

CHEMBL3901766

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CCN(c1cnc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1)C(C)(C)C

Basic Information

ChEMBL ID CHEMBL3901766
Phase Preclinical
Structure Type MOL
InChI Key PCKUZAUQQUCSJT-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
3.54
ALogP
4
HBA
2
HBD
73.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O
MW 363.47
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.48

Activity Summary

IC50 3 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 10.0 10.0 0.1 2
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine