Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09IJP
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| Former ID |
DPR000005
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| Drug Name |
A-71378
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| Synonyms |
A 71378; Desamino-tyr(SO3H)-nle-gly-trp-nle-(N-methyl)asp-phe-NH2; (3S)-4-[[(2R)-1-[2-[[(2S)-2-[[1H-indol-3-ylmethyl-[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]carbamoyl]amino]hexanoyl]carbamoyl]phenyl]propan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid; (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]-methylamino]-4-oxobutanoic acid
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| Drug Type |
Small molecular drug
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| Indication | Obesity [ICD-11: 5B81; ICD-10: E66; ICD-9: 278] | Preclinical | [1], [2] | |
| Company |
Abbott
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| Structure |
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Download2D MOL |
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| Formula |
C48H62N8O13S
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| Canonical SMILES |
CCCCC(C(=O)NCC(=O)N(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCC)C(=O)NC(=O)C3=CC=CC=C3CC(C)NC(=O)C(CC(=O)O)NC)NC(=O)CCC4=CC=C(C=C4)OS(=O)(=O)O
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| InChI |
1S/C48H62N8O13S/c1-5-7-16-38(53-41(57)24-21-31-19-22-34(23-20-31)69-70(66,67)68)45(62)51-28-42(58)56(29-33-27-50-37-18-12-11-14-35(33)37)48(65)54-39(17-8-6-2)46(63)55-44(61)36-15-10-9-13-32(36)25-30(3)52-47(64)40(49-4)26-43(59)60/h9-15,18-20,22-23,27,30,38-40,49-50H,5-8,16-17,21,24-26,28-29H2,1-4H3,(H,51,62)(H,52,64)(H,53,57)(H,54,65)(H,59,60)(H,55,61,63)(H,66,67,68)/t30-,38+,39+,40+/m1/s1
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| InChIKey |
DLOJBPLQFCFYKX-QQYYTUMTSA-N
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| CAS Number |
CAS 127902-33-4
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Cholecystokinin receptor type A (CCKAR) | Target Info | Agonist | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Insulin secretion | ||||
| Pancreatic secretion | ||||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | GPCRs, Class A Rhodopsin-like | |||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 894). | |||
| REF 2 | Emerging drugs for obesity: linking novel biological mechanisms to pharmaceutical pipelines. Expert Opin Emerg Drugs. 2005 Aug;10(3):643-60. | |||
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