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Compound Detail

CHEMBL90632

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CCCCCCCCCCN1CCC(C(=O)CC)(c2cccc(O)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL90632
Phase Preclinical
Structure Type MOL
InChI Key ZTJJECSMGGPEFY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

373.6
MW (Da)
5.85
ALogP
3
HBA
1
HBD
40.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H39NO2
MW 373.58
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -0.06

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
1433169 10.1021/jm00098a001 Mus musculus 2
1433169 10.1021/jm00098a001 Mu-type opioid receptor 2
8410989 10.1021/jm00071a006 Opioid receptor 1

Data from ChEMBL 36 via Core Engine