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Compound Detail

CHEMBL39319

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CN1CCC2(c3cccc(O)c3)CC1Cc1[nH]c3ccc4ccccc4c3c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39319
Phase Preclinical
Structure Type MOL
InChI Key HPUSLEQBUFQORT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

368.5
MW (Da)
4.96
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24N2O
MW 368.48
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
7739011 10.1021/jm00009a013 Mu-type opioid receptor 1
7739011 10.1021/jm00009a013 Delta-type opioid receptor 1
7739011 10.1021/jm00009a013 Kappa-type opioid receptor 1

Data from ChEMBL 36 via Core Engine