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Compound Detail

CHEMBL493536

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CN1CCCN(c2cncc(-c3cccc(/C=C/C(N)=O)c3)n2)CC1

Basic Information

ChEMBL ID CHEMBL493536
Phase Preclinical
Structure Type MOL
InChI Key QQYNGYCPUGWHFT-VOTSOKGWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
1.78
ALogP
5
HBA
1
HBD
75.3
PSA (Ų)
0.86
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 C19H23N5O
MW 337.43
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.19

Activity Summary

IC50 1 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 5.92 5.92 1200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Serine/threonine-protein kinase pim-2 IC50 = 1200.0 nM 5.92 Inhibition of Pim2 19256503

Literature References

PubMed DOI Target Context # Activities
19256503 10.1021/jm801242y Serine/threonine-protein kinase pim-2 1
19256503 10.1021/jm801242y Casein kinase II subunit alpha 1
19256503 10.1021/jm801242y Casein kinase II subunit alpha' 1

Data from ChEMBL 36 via Core Engine