Drug Information
Drug General Information | Top | |||
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Drug ID |
D0Q2HO
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Drug Name |
Naldemedine Tosylate
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Drug Type |
Small molecular drug
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Indication | Opioid-induced constipation [ICD-11: DB32.1; ICD-10: K59.0; ICD-9: 564] | Approved | [1], [2] | |
Company |
Shionogi
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Structure |
Download2D MOL
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Formula |
C39H42N4O9S
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Canonical SMILES |
CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=C(C4C56CCN(C(C5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8)O
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InChI |
1S/C32H34N4O6.C7H8O3S/c1-30(2,29-33-27(35-42-29)18-6-4-3-5-7-18)34-28(39)20-15-32(40)22-14-19-10-11-21(37)25-23(19)31(32,26(41-25)24(20)38)12-13-36(22)16-17-8-9-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10-11,17,22,26,37-38,40H,8-9,12-16H2,1-2H3,(H,34,39);2-5H,1H3,(H,8,9,10)/t22-,26+,31+,32-;/m1./s1
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InChIKey |
WCYDLROFMZJJLE-RTMHEQJQSA-N
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CAS Number |
CAS 1345728-04-2
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Opioid receptor mu (MOP) | Target Info | Antagonist | [2] |
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 | Top | |||
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REF 1 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2018 | |||
REF 2 | 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85. |
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