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Compound Detail

CHEMBL446266

HETEROPSINE
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COc1cc2c3c(c(-c4c5c6c(cc7c(c6c6ccccc46)OCO7)CCN5)c4ccccc4c3c1OC)NCC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL446266
Name HETEROPSINE
Phase Preclinical
Structure Type MOL
InChI Key RUQINKCOJMAFCG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

540.6
MW (Da)
7.65
ALogP
6
HBA
2
HBD
61.0
PSA (Ų)
0.22
QED
2
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 C35H28N2O4
MW 540.62
Aromatic Rings 6
Heavy Atoms 41
NP-Likeness 0.93

Literature References

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

Data from ChEMBL 36 via Core Engine