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Compound Detail

CHEMBL53216

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C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC1C[C@]1(C(=O)O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL53216
Phase Preclinical
Structure Type MOL
InChI Key ZUWPOKDKYNJHSJ-UMWZVXCFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
3.96
ALogP
3
HBA
2
HBD
60.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29NO3
MW 391.51
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.36

Literature References

PubMed DOI Target Context # Activities
8390575 10.1021/jm00065a009 Kappa-type opioid receptor 1
8390575 10.1021/jm00065a009 Mu-type opioid receptor 1
8390575 10.1021/jm00065a009 Opioid receptors; mu & kappa 1

Data from ChEMBL 36 via Core Engine