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Compound Detail

CHEMBL3707079

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C[C@@H]1[C@H]2c3ccccc3C[C@@H](c3ccccc32)N1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3707079
Phase Preclinical
Structure Type MOL
InChI Key DUSXARLYRQZYJH-CQLNOVPUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

325.5
MW (Da)
5.32
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.62
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23N
MW 325.46
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.11

Literature References

PubMed DOI Target Context # Activities
12502358 10.1021/jm020164l Delta-type opioid receptor 1
12502358 10.1021/jm020164l Kappa-type opioid receptor 1
12502358 10.1021/jm020164l Mu-type opioid receptor 1
12502358 10.1021/jm020164l Opioid receptors; mu & delta 1

Data from ChEMBL 36 via Core Engine