PLECANATIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: A06AX07
UNII: 7IK8Z952OK

Structure
InChI Key NSPHQWLKCGGCQR-DLJDZFDSSA-N
Smile CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(N)=O)CSSC[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC2=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N1)C(=O)O
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C65H104N18O26S4
Molecular Weight 1681.91
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
AGONIST Heat-stable enterotoxin receptor agonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Constipation 4 D003248 ClinicalTrials
Irritable Bowel Syndrome 3 D043183 ClinicalTrials

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
40.35
General disorders and administration site conditions
12.76
Nervous system disorders
6.99
Injury, poisoning and procedural complications
6.92
Musculoskeletal and connective tissue disorders
6.3
Respiratory, thoracic and mediastinal disorders
4.07
Cardiac disorders
3.46
Vascular disorders
3.38
Skin and subcutaneous tissue disorders
3.23
Investigations
2.92
Psychiatric disorders
2.31

Cross References

Resources Reference
CAS NUMBER 467426-54-6
ChEMBL CHEMBL2103867
DrugBank DB13170
DrugCentral 5208
EPA CompTox DTXSID60196933
FDA SRS 7IK8Z952OK
Guide to Pharmacology 9069
PubChem 70693500
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