NALMEFENE HYDROCHLORIDE

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Synonyms
Status
Molecule Category Salt-form
UNII K7K69QC05X
EPA CompTox DTXSID70891705

Structure

InChI Key GYWMRGWFQPSQLK-OPHZJPRHSA-N
Smiles C=C1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5.Cl
InChI
InChI=1S/C21H25NO3.ClH/c1-12-6-7-21(24)16-10-14-4-5-15(23)18-17(14)20(21,19(12)25-18)8-9-22(16)11-13-2-3-13;/h4-5,13,16,19,23-24H,1-3,6-11H2;1H/t16-,19+,20+,21-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H26ClNO3
Molecular Weight 375.9
AlogP 2.51
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 52.93
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Opioid receptors; mu/kappa/delta antagonist ANTAGONIST FDA

Target Conservation

Protein: Opioid receptors; mu/kappa/delta
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038
Protein: Opioid receptors; mu/kappa/delta
Description: Delta-type opioid receptor
Organism : Homo sapiens
P41143 ENSG00000116329
Protein: Opioid receptors; mu/kappa/delta
Description: Kappa-type opioid receptor
Organism : Homo sapiens
P41145 ENSG00000082556

Cross References

Resources Reference
ChEMBL CHEMBL1201152
FDA SRS K7K69QC05X
SureChEMBL SCHEMBL628721
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