SINCALIDE

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Trade Names:
Synonyms:
Status: Approved (1976)
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: V04CC03
UNII: M03GIQ7Z6P

Structure
InChI Key IZTQOLKUZKXIRV-YRVFCXMDSA-N
Smile CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
InChI
InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C49H62N10O16S3
Molecular Weight 1143.29
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

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Cholecystokinin receptor
0-27 0-8 - 0-1 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 60

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
35.94
Injury, poisoning and procedural complications
23.44
Product issues
14.06
Gastrointestinal disorders
5.47
Vascular disorders
4.69
Musculoskeletal and connective tissue disorders
3.91
Cardiac disorders
3.12
Nervous system disorders
3.12
Skin and subcutaneous tissue disorders
2.34

Cross References

Resources Reference
CAS NUMBER 25126-32-3
ChEBI 135946
ChEMBL CHEMBL1121
DrugBank DB09142
DrugCentral 4627
EPA CompTox DTXSID7048617
FDA SRS M03GIQ7Z6P
Guide to Pharmacology 864
KEGG D05845
PubChem 9833444
SureChEMBL SCHEMBL122365
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