SAMIDORPHAN L-MALATE

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Synonyms
Status
Molecule Category Salt-form
UNII 0AJQ5N56E0

Structure

InChI Key RARHXUAUPNYAJF-QSYGGRRVSA-N
Smiles NC(=O)c1ccc2c(c1O)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)CCC(=O)C3.O=C(O)C[C@H](O)C(=O)O
InChI
InChI=1S/C21H26N2O4.C4H6O5/c22-19(26)15-4-3-13-9-16-21(27)6-5-14(24)10-20(21,17(13)18(15)25)7-8-23(16)11-12-1-2-12;5-2(4(8)9)1-3(6)7/h3-4,12,16,25,27H,1-2,5-11H2,(H2,22,26);2,5H,1H2,(H,6,7)(H,8,9)/t16-,20-,21-;2-/m10/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H32N2O9
Molecular Weight 504.54
AlogP 1.25
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 103.86
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Mechanism of Action Action Reference
Delta opioid receptor partial agonist PARTIAL AGONIST FDA

Target Conservation

Protein: Mu opioid receptor
Description: Mu-type opioid receptor
Organism : Homo sapiens
P35372 ENSG00000112038
Protein: Delta opioid receptor
Description: Delta-type opioid receptor
Organism : Homo sapiens
P41143 ENSG00000116329
Protein: Kappa opioid receptor
Description: Kappa-type opioid receptor
Organism : Homo sapiens
P41145 ENSG00000082556

Cross References

Resources Reference
ChEMBL CHEMBL2105749
FDA SRS 0AJQ5N56E0
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