Drug Information

Drug General Information
Drug ID
D06WKA
Former ID
DCL000878
Drug Name
MD-1100
Synonyms
Linaclotide acetate; Linaclotide acetate (USAN); MM-416775
Drug Type
Small molecular drug
Indication Constipation [ICD9: 564; ICD10:K59.0] Approved [532210]
Irritable bowel syndrome [ICD9: 564.1, 787.91; ICD10:A09, K58, K59.1] Phase 2 [536224]
Company
Microbia
Structure
Download
2D MOL

3D MOL
Formula
C61H83N15O23S6
Canonical SMILES
CC1C(=O)NC2CSSCC3C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(NC(=O)CN<br />C(=O)C(NC2=O)C(C)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)O)C(=O)<br />NC(CSSCC(C(=O)N3)N)C(=O)NC(C(=O)N5CCCC5C(=O)N1)CC(=O)N)<br />CC6=CC=C(C=C6)O)CCC(=O)O.CC(=O)O
InChI
1S/C59H79N15O21S6.C2H4O2/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;1-2(3)4/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);1H3,(H,3,4)/t26-,27+,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,46-;/m0./s1
InChIKey
KWFNVZFWXXEJKL-YZDVLOIKSA-N
PubChem Compound ID
16158207
PubChem Substance ID
17419612, 40691234, 47208263, 85197653, 135213726, 242651866
SuperDrug ATC ID
A06AX04
Target and Pathway
Target(s) Guanylyl cyclase C Target Info Activator [536224]
References
Ref 532210Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
Ref 536224Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.
Ref 536224Emerging drugs for irritable bowel syndrome. Expert Opin Emerg Drugs. 2006 May;11(2):293-313.

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