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Compound Detail

CHEMBL4225046

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CC(=O)NCCC(=O)Nc1ccc2cnn(-c3cncc(C#N)n3)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4225046
Phase Preclinical
Structure Type MOL
InChI Key UHGRQDPSSKEARG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

349.4
MW (Da)
1.15
ALogP
7
HBA
2
HBD
125.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15N7O2
MW 349.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
29559278 10.1016/j.bmcl.2018.03.018 Casein kinase II subunit alpha 1
29559278 10.1016/j.bmcl.2018.03.018 Serine/threonine-protein kinase pim-1 1
29559278 10.1016/j.bmcl.2018.03.018 Serine/threonine-protein kinase pim-2 1

Data from ChEMBL 36 via Core Engine