Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08FJL
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| Former ID |
DAP000269
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| Drug Name |
Carbetocin
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| Synonyms |
Carbetocino [INN-Spanish]; Carbetocinum [INN-Latin]; Duratocin (TN); 1-Buttersaeure-2-(3-(4-methoxyphenyl)-L-alanin)oxytocin; 1-{[(3r,6s,9s,12s,15s)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2s)-butan-2-yl]-15-(4-hydroxybenzyl)-16-methyl-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}-l-prolyl-l-leucylglycinamide
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| Drug Type |
Small molecular drug
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| Indication | Postpartum haemorrhage [ICD-11: JA43; ICD-10: O72; ICD-9: 666] | Approved | [1] | |
| Therapeutic Class |
Antitocolytic Agents
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| Company |
Pfizer Pharmaceuticals
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| Structure |
 |
Download2D MOL
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| Formula |
C45H69N11O12S
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| Canonical SMILES |
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSCCCC(=O)NC(C(=O)N1)CC2=CC=C(C=C2)OC)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
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| InChI |
1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1
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| InChIKey |
NSTRIRCPWQHTIA-DTRKZRJBSA-N
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| CAS Number |
CAS 37025-55-1
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:59204
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| SuperDrug ATC ID |
H01BB03
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| SuperDrug CAS ID |
cas=037025551
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Oxytocin receptor (OTR) | Target Info | Agonist | [2], [3], [4] |
| KEGG Pathway | Calcium signaling pathway | |||
| cAMP signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Oxytocin signaling pathway | ||||
| NetPath Pathway | TGF_beta_Receptor Signaling Pathway | |||
| Panther Pathway | Oxytocin receptor mediated signaling pathway | |||
| Reactome | Vasopressin-like receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Myometrial Relaxation and Contraction Pathways | ||||
| Oxytocin signaling | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Clinical Textbook of Dental Hygiene and Therapy. 2006, P237. By Robert Ireland. | |||
| REF 2 | Peptide and non-peptide agonists and antagonists for the vasopressin and oxytocin V1a, V1b, V2 and OT receptors: research tools and potential therapeutic agents. Prog Brain Res. 2008;170:473-512. | |||
| REF 3 | Structural organization of the human oxytocin receptor gene. J Biol Chem. 1994 Dec 23;269(51):32451-6. | |||
| REF 4 | Structure and expression of a human oxytocin receptor. Nature. 1992 Apr 9;356(6369):526-9. | |||
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