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Compound Detail

CHEMBL493560

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CC(=O)NCCNc1cncc(-c2cccc(/C=C/C(=O)O)c2)n1

Basic Information

ChEMBL ID CHEMBL493560
Phase Preclinical
Structure Type MOL
InChI Key YVMLLWOOFXSHOL-AATRIKPKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
1.79
ALogP
5
HBA
3
HBD
104.2
PSA (Ų)
0.53
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18N4O3
MW 326.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 5.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 5.99 5.99 1020.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-2 IC50 = 1020.0 nM 5.99 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