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Compound Detail

CHEMBL4166150

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CCOC(=O)c1nc2ccccc2nc1Nc1cccc(N2CCOCC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4166150
Phase Preclinical
Structure Type MOL
InChI Key ZSUYLXHGWWLRID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.39
ALogP
7
HBA
1
HBD
76.6
PSA (Ų)
0.68
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 C21H22N4O3
MW 378.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
29778892 10.1016/j.ejmech.2018.04.056 Serine/threonine-protein kinase pim-1 1

Data from ChEMBL 36 via Core Engine