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Compound Detail

CHEMBL492753

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O=C(O)/C=C/c1cccc(-c2cncc(N3CCOCC3)n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL492753
Phase Preclinical
Structure Type MOL
InChI Key YFZGNPRWWXZIMC-SNAWJCMRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
2.08
ALogP
5
HBA
1
HBD
75.5
PSA (Ų)
0.87
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 C17H17N3O3
MW 311.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.09

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-2
CHEMBL4523
 IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-2 IC50 = 1700.0 nM 5.77 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