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Compound Detail

CHEMBL4760296

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COc1ccc(OC)c2c1c(OC)cc1c(=O)cc(-c3ccc(N4CCN(C)CC4)cc3)oc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4760296
Phase Preclinical
Structure Type MOL
InChI Key XXGYKUVWHMEKFY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

460.5
MW (Da)
4.39
ALogP
7
HBA
0
HBD
64.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H28N2O5
MW 460.53
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
33069055 10.1016/j.ejmech.2020.112895 Cytochrome P450 1B1 1
33069055 10.1016/j.ejmech.2020.112895 Cytochrome P450 1A1 1
33069055 10.1016/j.ejmech.2020.112895 Cytochrome P450 1A2 1

Data from ChEMBL 36 via Core Engine