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Compound Detail

CHEMBL255571

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COc1cc(/C=C/C(=O)/C=C(/C=C/c2ccc(O)c(OC)c2)NC(C)c2ccccc2)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255571
Phase Preclinical
Structure Type MOL
InChI Key MAPROPNFUHYPEJ-NQCFXFOASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
5.65
ALogP
6
HBA
3
HBD
88.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H29NO5
MW 471.55
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.18

Literature References

PubMed DOI Target Context # Activities
18039573 10.1016/j.bmcl.2007.11.021 NON-PROTEIN TARGET 2
18039573 10.1016/j.bmcl.2007.11.021 MCF7 2
18039573 10.1016/j.bmcl.2007.11.021 MCF7R 2

Data from ChEMBL 36 via Core Engine