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Compound Detail

CHEMBL93296

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CCCN1CCC(C(=O)CC)(c2cccc(O)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL93296
Phase Preclinical
Structure Type MOL
InChI Key FVWAZOKKPUVLRR-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
3.11
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H25NO2
MW 275.39
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.21

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1433169 10.1021/jm00098a001 Mus musculus 4
8410989 10.1021/jm00071a006 Opioid receptor 1

Data from ChEMBL 36 via Core Engine