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Compound Detail

CHEMBL3288992

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COC(=O)c1cccc(Nc2ccc3c(c2)CCC(=O)N3)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3288992
Phase Preclinical
Structure Type MOL
InChI Key NKXHQZUGFNGPHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.10
ALogP
4
HBA
2
HBD
67.4
PSA (Ų)
0.85
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 C17H16N2O3
MW 296.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.00

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