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Compound Detail

CHEMBL3903402

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Cc1nc2cccc(-c3cc4c([nH]3)[C@@H](C)NC4=O)c2nc1NC1(C)CC1

Basic Information

ChEMBL ID CHEMBL3903402
Phase Preclinical
Structure Type MOL
InChI Key LBUJNZMSBAMNNW-SNVBAGLBSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.70
ALogP
4
HBA
3
HBD
82.7
PSA (Ų)
0.67
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 C20H21N5O
MW 347.42
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness 0.03

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-2
CHEMBL4523
IC50 9.74 9.74 0.2 1
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 9.73 9.73 0.2 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine