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Compound Detail

CHEMBL327270

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CC1CN(CCc2ccccc2)CCC1N(C(=O)c1ccco1)c1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL327270
Phase Preclinical
Structure Type MOL
InChI Key AUFUBWNAAOCRHM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

423.0
MW (Da)
5.53
ALogP
3
HBA
0
HBD
36.7
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H27ClN2O2
MW 422.96
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.09

Activity Summary

Ki 1 meas. best 9.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL270
Ki 9.89 9.89 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2170652 10.1021/jm00172a032 Mus musculus 3
2170652 10.1021/jm00172a032 Mu-type opioid receptor 1

Data from ChEMBL 36 via Core Engine