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Compound Detail

CHEMBL3827355

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

Basic Information

ChEMBL ID CHEMBL3827355
Phase Preclinical
Structure Type MOL
InChI Key SDTMQLAGKSQEEV-JXMROGBWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
5.19
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.54
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24O
MW 292.42
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 0.05

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