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Compound Detail

CHEMBL4781257

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CC1C=CC(COC(=O)C2CCCCC2)c2c(O)c3c(c(O)c21)C(=O)C=CC3(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4781257
Phase Preclinical
Structure Type MOL
InChI Key WLUDXCDQDXKRJJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
5.01
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.42
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30O5
MW 410.51
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.11

Literature References

PubMed DOI Target Context # Activities
32155530 10.1016/j.ejmech.2020.112187 Unchecked 3
32155530 10.1016/j.ejmech.2020.112187 Platelet 1

Data from ChEMBL 36 via Core Engine