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Compound Detail

CHEMBL3676302

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N[C@H]1CCCN(c2ccncc2NC(=O)c2csc(-c3ccccc3)n2)C1

Basic Information

ChEMBL ID CHEMBL3676302
Phase Preclinical
Structure Type MOL
InChI Key JLGPSJZWENLOLE-HNNXBMFYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
3.38
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N5OS
MW 379.49
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.75

Activity Summary

IC50 3 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 8.7 8.7 2.0 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
IC50 8.64 8.64 2.3 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 7.75 7.75 17.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine