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Compound Detail

CHEMBL4436311

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CC(C)=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](c3cc(O)cc4oc(-c5ccc(O)cc5O)cc34)C=C(C)C[C@@H]2c2ccc(O)cc2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4436311
Phase Preclinical
Structure Type MOL
InChI Key AERXIJPAQSAIEQ-YILDDUOOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

648.7
MW (Da)
8.26
ALogP
9
HBA
7
HBD
171.8
PSA (Ų)
0.07
QED
3
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H36O9
MW 648.71
Aromatic Rings 5
Heavy Atoms 48
NP-Likeness 1.66

Literature References

PubMed DOI Target Context # Activities
31255927 10.1016/j.ejmech.2019.06.034 RAW264.7 1

Data from ChEMBL 36 via Core Engine