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Compound Detail

CHEMBL452777

OXOSARCOPHYLLINE
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COc1ccc2c(c1OC)Oc1c(O)ccc3ccnc(c13)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452777
Name OXOSARCOPHYLLINE
Phase Preclinical
Structure Type MOL
InChI Key KXPWCIFCBKXPIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.3
MW (Da)
3.65
ALogP
5
HBA
1
HBD
60.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C18H15NO4
MW 309.32
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 1.16

Literature References

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

Data from ChEMBL 36 via Core Engine