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Compound Detail

CHEMBL2032375

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N[C@H]1CC[C@H](Nc2cncc(-c3cccc(/C=C4\SC(=O)NC4=O)c3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2032375
Phase Preclinical
Structure Type MOL
InChI Key UKPXIONZHWFMAU-MDYDWWASSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
3.15
ALogP
7
HBA
3
HBD
110.0
PSA (Ų)
0.68
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 C20H21N5O2S
MW 395.49
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -1.31

Activity Summary

IC50 1 meas. best 9.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
 IC50 9.33 9.33 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-1 IC50 = 0.47 nM 9.33 Inhibition of human Pim-1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate preincubate... 22339127

Literature References

PubMed DOI Target Context # Activities
22339127 10.1021/jm2014698 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine