Details of the Active Pharmaceutical Ingredient (API)
General Information of API (ID: D00539) | |||||
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Name |
Plecanatide
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Synonyms |
Click to Show/Hide the Synonyms of This API
PLECANATIDE; Trulance; UNII-7IK8Z952OK; SP-304; 7IK8Z952OK; 467426-54-6 (free base); 467426-54-6; Plecanatide [USAN:INN]; Guanilib; SP-304 (SYNERGY); GTPL9069; CHEMBL2103867; HSDB 8405; DTXSID60196933; EX-A4131; DB13170; [3-glutamic acid(D>E)]human uroguanylin; (3-Glutamic acid(D>E))human uroguanylin (UGN); (2S)-2-[[(1R,4S,7S,10S,13S,16R,21R,27S,34R,37S,40S)-10-(2-amino-2-oxoethyl)-34-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]propanoyl]amino]butanoyl]amino]-37-(2-carboxyethyl)-27-[(1R)-1-hydroxyethyl]-4-methyl-40-(2-methylp; L-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-Glutamyl-L-leucyl-L-cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-L-leucine cyclic (4-->12),(7-->15)-bis(disulfide); L-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-Glutamyl-L-leucyl-L-cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-L-leucine cyclic (4adagger?2),(7adagger?5)-bis(disulfide); L-Leucine, L-asparaginyl-L-alpha-aspartyl-L-alpha-glutamyl-L-cysteinyl-L-alpha-glutamyl-L-leucyl-L- cysteinyl-L-valyl-L-asparaginyl-L-valyl-L-alanyl-L-cysteinyl-L-threonylglycyl-L-cysteinyl-, cyclic (4->12),(7->15)-bis(disulfide)
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Clinical Status |
Approved
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Disease Indication | Chronic idiopathic constipation | ICD-11: DC32 | [1] | ||
PubChem CID | |||||
Formula |
C65H104N18O26S4
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Canonical SMILES |
C[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C(C)C)CC(=O)N)C(C)C)CC(C)C)CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)N
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InChI |
1S/C65H104N18O26S4/c1-25(2)15-34-55(98)80-41-24-113-110-21-38(58(101)77-37(65(108)109)16-26(3)4)71-44(87)20-69-62(105)50(30(10)84)83-61(104)40(78-51(94)29(9)70-63(106)48(27(5)6)81-57(100)35(18-43(68)86)76-64(107)49(28(7)8)82-60(41)103)23-112-111-22-39(59(102)73-32(53(96)75-34)11-13-45(88)89)79-54(97)33(12-14-46(90)91)72-56(99)36(19-47(92)93)74-52(95)31(66)17-42(67)85/h25-41,48-50,84H,11-24,66H2,1-10H3,(H2,67,85)(H2,68,86)(H,69,105)(H,70,106)(H,71,87)(H,72,99)(H,73,102)(H,74,95)(H,75,96)(H,76,107)(H,77,101)(H,78,94)(H,79,97)(H,80,98)(H,81,100)(H,82,103)(H,83,104)(H,88,89)(H,90,91)(H,92,93)(H,108,109)/t29-,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,48-,49-,50-/m0/s1
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InChIKey |
NSPHQWLKCGGCQR-DLJDZFDSSA-N
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Click to Show/Hide the Molecular Data (Structure/Property) of This API | |||||
Structure |
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=70693500"></iframe>
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3D MOL is unavailable | 2D MOL | ||||
Physicochemical Properties | Molecular Weight | 1681.9 | Topological Polar Surface Area | 819 | |
XlogP | -8.2 | Complexity | 3490 | ||
Heavy Atom Count | 113 | Rotatable Bond Count | 28 | ||
Hydrogen Bond Donor Count | 23 | Hydrogen Bond Acceptor Count | 31 | ||
Full List of Drug Formulations (DFMs) Containing This API | ||||||
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Plecanatide 3 mg tablet | Click to Show/Hide the Full List of Formulation(s): 1 Formulation(s) | |||||
Drug Formulation 1 | DFM Info click to show the detail info of this DFM | |||||
All DIGs | Click to Show/Hide the Full List of DIGs in This DFM
Magnesium stearate; Microcrystalline cellulose
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Dosage Form | Oral Tablet | |||||
Company | Synergy Pharmaceuticals | |||||
DIG(s) with Biological Activity | ||||||
DIG Name | DIG Info | Representative Biological Activity of This DIG | REF | |||
Magnesium stearate | DIG Info | Albendazole monooxygenase (Protein expression downregulation) | [2] | |||
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