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Compound Detail

CHEMBL450834

SECOLUCIDINE
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COc1ccc(C[C@H]2c3c(cc(OC)c4c3Oc3cc5c(cc3O4)CCN(C)C5=O)CCN2C)cc1-c1cc(C=O)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL450834
Name SECOLUCIDINE
Phase Preclinical
Structure Type MOL
InChI Key IPZZJEUUDCPILE-MHZLTWQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

606.7
MW (Da)
6.19
ALogP
8
HBA
1
HBD
97.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C36H34N2O7
MW 606.68
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness 1.17

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