Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3676296

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
C[C@@H]1C[C@H](N)C[C@H](c2ccncc2NC(=O)c2csc(C3CCCCC3)n2)C1

Basic Information

ChEMBL ID CHEMBL3676296
Phase Preclinical
Structure Type MOL
InChI Key RIXIGCWSXMWELC-UAGQMJEPSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

398.6
MW (Da)
5.07
ALogP
5
HBA
2
HBD
80.9
PSA (Ų)
0.75
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N4OS
MW 398.58
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.59

Activity Summary

IC50 3 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 7.39 7.39 41.0 1
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 7.01 7.01 97.0 1
Serine/threonine-protein kinase pim-3
CHEMBL5407
IC50 6.96 6.96 109.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine