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Compound Detail

CHEMBL3827802

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C(/C=C/c1ccccc1)=C\COCc1ccc2c(c1)CCCCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3827802
Phase Preclinical
Structure Type MOL
InChI Key YADRAWYTAVVEPK-XCCLWPCOSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.5
MW (Da)
5.74
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H26O
MW 318.46
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 0.29

Literature References

PubMed DOI Target Context # Activities
27139780 10.1021/acs.jmedchem.6b00122 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) 1

Data from ChEMBL 36 via Core Engine