DESMOPRESSIN

Search structure
Synonyms:
Status: Approved (1978)
Entry Type: Protein
Molecule Category: Parent
ATC: H01BA02
UNII: ENR1LLB0FP

Structure
InChI Key NFLWUMRGJYTJIN-PNIOQBSNSA-N
Smile N=C(N)NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
InChI
InChI=1S/C46H64N14O12S2/c47-35(62)15-14-29-40(67)58-32(22-36(48)63)43(70)59-33(45(72)60-18-5-9-34(60)44(71)56-28(8-4-17-52-46(50)51)39(66)53-23-37(49)64)24-74-73-19-16-38(65)54-30(21-26-10-12-27(61)13-11-26)41(68)57-31(42(69)55-29)20-25-6-2-1-3-7-25/h1-3,6-7,10-13,28-34,61H,4-5,8-9,14-24H2,(H2,47,62)(H2,48,63)(H2,49,64)(H,53,66)(H,54,65)(H,55,69)(H,56,71)(H,57,68)(H,58,67)(H,59,70)(H4,50,51,52)/t28-,29+,30+,31+,32+,33+,34+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H64N14O12S2
Molecular Weight 1069.24
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) Vasopressin and oxytocin receptor
0-0 - - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Enuresis 3 D004775 ClinicalTrials
Renal Colic 3 D056844 ClinicalTrials
Diabetes Insipidus 3 D003919 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Leptospirosis 2 D007922 ClinicalTrials
Urinary Bladder, Overactive 2 D053201 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 0 D064129 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 16679-58-6
ChEBI 4450
ChEMBL CHEMBL1429
DrugBank DB00035
DrugCentral 817
FDA SRS ENR1LLB0FP
Guide to Pharmacology 2182
PubChem 5311065
SureChEMBL SCHEMBL14027607
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