Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D00GNJ
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| Former ID |
DCL000868
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| Drug Name |
Linaclotide
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| Synonyms |
Linaclotide (USAN)
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| Drug Type |
Small molecular drug
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| Indication | Irritable bowel syndrome [ICD-11: DD91.0; ICD-10: K55-K64, K58] | Approved | [1], [2] | |
| Company |
Microbia
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| Structure |
 |
Download2D MOL |
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| Formula |
C59H79N15O21S6
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| Canonical SMILES |
CC1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CNC(=O)C(NC2=O)C(C)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C(=O)NC(CSSCC(C(=O)N3)N)C(=O)NC(C(=O)N5CCCC5C(=O)N1)CC(=O)N)CC6=CC=C(C=C6)O)CCC(=O)O
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| InChI |
1S/C59H79N15O21S6/c1-26-47(82)69-41-25-101-99-22-38-52(87)65-33(13-14-45(80)81)49(84)66-34(16-28-5-9-30(76)10-6-28)50(85)71-40(54(89)72-39(23-97-96-20-32(60)48(83)70-38)53(88)67-35(18-43(61)78)58(93)74-15-3-4-42(74)56(91)63-26)24-100-98-21-37(64-44(79)19-62-57(92)46(27(2)75)73-55(41)90)51(86)68-36(59(94)95)17-29-7-11-31(77)12-8-29/h5-12,26-27,32-42,46,75-77H,3-4,13-25,60H2,1-2H3,(H2,61,78)(H,62,92)(H,63,91)(H,64,79)(H,65,87)(H,66,84)(H,67,88)(H,68,86)(H,69,82)(H,70,83)(H,71,85)(H,72,89)(H,73,90)(H,80,81)(H,94,95)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-/m0/s1
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| InChIKey |
KXGCNMMJRFDFNR-WDRJZQOASA-N
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| CAS Number |
CAS 851199-59-2
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:68551
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| ADReCS Drug ID | BADD_D01291 | |||
| SuperDrug ATC ID |
A06AX04
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Guanylyl cyclase C (GUCY2C) | Target Info | Activator | [2] |
| 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: 5017). | |||
| REF 2 | Emerging drugs for postoperative ileus. Expert Opin Emerg Drugs. 2007 Nov;12(4):619-26. | |||
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