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Compound Detail

CHEMBL522340

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CN(C)CCCN(C)c1cncc(-c2cccc(/C=C/C(=O)O)c2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522340
Phase Preclinical
Structure Type MOL
InChI Key VMOVXVNJYAUUIB-CMDGGOBGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.63
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N4O2
MW 340.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-2
CHEMBL4523
 IC50 6.43 6.43 370.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-2 IC50 = 370.0 nM 6.43 Inhibition of Pim2 19256503

Literature References

PubMed DOI Target Context # Activities
19256503 10.1021/jm801242y Serine/threonine-protein kinase pim-2 1

Data from ChEMBL 36 via Core Engine