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Compound Detail

CHEMBL260507

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COc1ccc(-c2ccc(C(=O)N3CCc4cc(OC)c(OC)cc4C3)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL260507
Phase Preclinical
Structure Type MOL
InChI Key PHVQAAOWPNAOHH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.58
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.63
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 C25H25NO4
MW 403.48
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
18276145 10.1016/j.bmc.2008.01.055 Caco-2 3
18276145 10.1016/j.bmc.2008.01.055 Unchecked 1
18276145 10.1016/j.bmc.2008.01.055 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine