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Compound Detail

CHEMBL510574

OXOCULARINE
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COc1cc2c(cc1OC)C(=O)c1nccc3ccc(OC)c(c13)O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510574
Name OXOCULARINE
Phase Preclinical
Structure Type MOL
InChI Key AGKDNGLOUYCNMU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.3
MW (Da)
3.60
ALogP
6
HBA
0
HBD
66.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H15NO5
MW 337.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.55

Literature References

PubMed DOI Target Context # Activities
8676127 10.1021/np50124a001 Sodium-dependent dopamine transporter 1

Data from ChEMBL 36 via Core Engine