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Compound Detail

CHEMBL329343

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O=C(Cc1ccc(Cl)c(Cl)c1)N1CCc2c([nH]c3ccccc23)C1CN1CCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329343
Phase Preclinical
Structure Type MOL
InChI Key SNEYMUAQCKBVHQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

442.4
MW (Da)
5.24
ALogP
2
HBA
1
HBD
39.3
PSA (Ų)
0.60
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 C24H25Cl2N3O
MW 442.39
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
1652025 10.1021/jm00112a042 Mus musculus 1
1652025 10.1021/jm00112a042 Kappa-type opioid receptor 1
1652025 10.1021/jm00112a042 Mu-type opioid receptor 1
1652025 10.1021/jm00112a042 Delta-type opioid receptor 1

Data from ChEMBL 36 via Core Engine