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Compound Detail

CHEMBL4085838

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C=C(C)[C@@H](O)CC/C(C)=C/Cc1c(OC)cc(CCc2ccccc2)c(C(=O)O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4085838
Phase Preclinical
Structure Type MOL
InChI Key QRWBUAFMONRJFW-RJSQPESZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

424.5
MW (Da)
5.09
ALogP
4
HBA
3
HBD
87.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C26H32O5
MW 424.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 1.94

Literature References

PubMed DOI Target Context # Activities
28075580 10.1021/acs.jnatprod.6b00809 L5178Y 1

Data from ChEMBL 36 via Core Engine