Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00539)
Name	Plecanatide
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)
Clinical Status	Approved
Disease Indication	Chronic idiopathic constipation		ICD-11: DC32	[1]
PubChem CID	70693500
Formula	C65H104N18O26S4
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
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
InChIKey	NSPHQWLKCGGCQR-DLJDZFDSSA-N
	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>
Structure	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
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
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]

References
1	FDA label for approved plecanatide from the official website of the U.S. Food and Drug Administration.
2	Effects of commonly used excipients on the expression of CYP3A4 in colon and liver cells. Pharm Res. 2010 Aug;27(8):1703-12.

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