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Compound Detail

CHEMBL93306

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CCC(=O)C1(c2cccc(O)c2)CCN(CC)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93306
Phase Preclinical
Structure Type MOL
InChI Key XCAMYZFCUDXNFH-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

261.4
MW (Da)
2.72
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.91
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 C16H23NO2
MW 261.36
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.18

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1433169 10.1021/jm00098a001 Mus musculus 3
8410989 10.1021/jm00071a006 Opioid receptor 1
1433169 10.1021/jm00098a001 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine