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Compound Detail

CHEMBL3740323

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O=C(OCc1ccccc1)c1ccc2ccc(C(Nc3ccccc3)c3ccccc3)c(O)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3740323
Phase Preclinical
Structure Type MOL
InChI Key XUGUSHBCXICOAC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
6.50
ALogP
5
HBA
2
HBD
71.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H24N2O3
MW 460.53
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
26706114 10.1016/j.bmc.2015.11.043 CAAX prenyl protease 2 2

Data from ChEMBL 36 via Core Engine