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Compound Detail

CHEMBL297498

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CCN(CC)C(=O)c1ccc(/C(=N/c2ccccc2Cl)N2CCN(Cc3ccccc3)CC2)cc1

Basic Information

ChEMBL ID CHEMBL297498
Phase Preclinical
Structure Type MOL
InChI Key CWVBENBIHGETOF-PNOGMODKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

489.1
MW (Da)
5.72
ALogP
3
HBA
0
HBD
39.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H33ClN4O
MW 489.06
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.42

Activity Summary

Ki 1 meas. best 7.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Delta-type opioid receptor
CHEMBL269
Ki 7.93 7.93 11.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11425550 10.1016/s0960-894x(01)00272-4 Delta-type opioid receptor 1
11425550 10.1016/s0960-894x(01)00272-4 Mu-type opioid receptor 1
11425550 10.1016/s0960-894x(01)00272-4 Opioid receptors; mu & delta 1

Data from ChEMBL 36 via Core Engine