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Compound Detail

CHEMBL3288985

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O=C1CCc2cc(Nc3cccc(-c4ccccc4)c3)ccc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288985
Phase Preclinical
Structure Type MOL
InChI Key USJYVFBYGJGWPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.98
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O
MW 314.39
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.96

Literature References

PubMed DOI Target Context # Activities
24794744 10.1016/j.bmc.2014.04.008 Kinesin-like protein KIF11 1

Data from ChEMBL 36 via Core Engine