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Compound Detail

CHEMBL2181273

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COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc(OC(C)=O)c(CC=C(C)C)c3O[C@@H]1CO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2181273
Phase Preclinical
Structure Type MOL
InChI Key PWNMXINHMGZPOC-PKTZIBPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

438.5
MW (Da)
4.26
ALogP
7
HBA
0
HBD
80.3
PSA (Ų)
0.39
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 C25H26O7
MW 438.48
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness 1.91

Literature References

PubMed DOI Target Context # Activities
23186287 10.1021/jm301488q NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine