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Compound Detail

CHEMBL283265

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C=CCN1CN(c2ccccc2)C2(CCN(C3CCc4c(Cl)ccc(Cl)c4C3)CC2)C1=O

Basic Information

ChEMBL ID CHEMBL283265
Phase Preclinical
Structure Type MOL
InChI Key CAHRJFAYDOYKDX-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

470.4
MW (Da)
5.18
ALogP
3
HBA
0
HBD
26.8
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H29Cl2N3O
MW 470.44
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.30

Activity Summary

Ki 3 meas. best 8.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mu-type opioid receptor
CHEMBL233
Ki 8.23 8.23 5.9 1
Nociceptin receptor
CHEMBL2014
Ki 8.17 8.17 6.8 1
Kappa-type opioid receptor
CHEMBL237
Ki 7.58 7.58 26.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10753470 10.1021/jm991129q Nociceptin receptor 1
10753470 10.1021/jm991129q Mu-type opioid receptor 1
10753470 10.1021/jm991129q Kappa-type opioid receptor 1
10753470 10.1021/jm991129q Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine