Drug Information

Drug General Information
Drug ID
D03YVO
Former ID
DNAP001296
Drug Name
Methylnaltrexone bromide
Synonyms
Relistor (TN)
Drug Type
Small molecular drug
Indication Opioid-induced constipation [ICD9: 564; ICD10:K59.0] Approved [529941]
Company
Progenics
Structure
Download
2D MOL

3D MOL
Formula
C21H26BrNO4
Canonical SMILES
C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6<br />.[Br-]
InChI
1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-,22?;/m1./s1
InChIKey
IFGIYSGOEZJNBE-KNLJMPJLSA-N
CAS Number
CAS 73232-52-7
PubChem Compound ID
5361917
PubChem Substance ID
11653979, 14832534, 14905674, 39384348, 47208269, 49684206, 57362073, 80810136, 92251514, 103771498, 118844001, 126684693, 134339505, 135011307, 152035633, 164229822, 184811781, 223680086, 228875020, 252479732
SuperDrug ATC ID
A06AH01
Target and Pathway
Target(s) Mu-type opioid receptor Target Info Modulator [529941]
KEGG Pathway Neuroactive ligand-receptor interaction
Estrogen signaling pathway
Morphine addiction
NetPath Pathway TCR Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Enkephalin release
Pathway Interaction Database IL4-mediated signaling events
Reactome Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways TCR Signaling Pathway
GPCRs, Class A Rhodopsin-like
Peptide GPCRs
Opioid Signalling
GPCR ligand binding
GPCR downstream signaling
References
Ref 5299412008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
Ref 5299412008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.

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