METHYLSAMIDORPHAN

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8347HC35J6

Structure
InChI Key ATCVVCBJNHXIEX-ZAHKBLQYSA-O
Smile C[N@+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13
InChI
InChI=1S/C22H28N2O4/c1-24(12-13-2-3-13)9-8-21-11-15(25)6-7-22(21,28)17(24)10-14-4-5-16(20(23)27)19(26)18(14)21/h4-5,13,17,28H,2-3,6-12H2,1H3,(H2-,23,26,27)/p+1/t17-,21-,22-,24-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H29N2O4+
Molecular Weight 385.48
AlogP 1.4
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 100.62
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 28.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Mu opioid receptor antagonist PubMed Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Constipation 2 D003248 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2364619
DrugBank DB15241
FDA SRS 8347HC35J6
PubChem 71484494
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