VASOPRESSIN

Search structure
Synonyms:
Status: Approved (2014)
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: Y4907O6MFD

Structure
InChI Key KBZOIRJILGZLEJ-LGYYRGKSSA-N
Smile N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=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/C46H65N15O12S2/c47-27-22-74-75-23-33(45(73)61-17-5-9-34(61)44(72)56-28(8-4-16-53-46(51)52)39(67)54-21-37(50)65)60-43(71)32(20-36(49)64)59-40(68)29(14-15-35(48)63)55-41(69)31(18-24-6-2-1-3-7-24)58-42(70)30(57-38(27)66)19-25-10-12-26(62)13-11-25/h1-3,6-7,10-13,27-34,62H,4-5,8-9,14-23,47H2,(H2,48,63)(H2,49,64)(H2,50,65)(H,54,67)(H,55,69)(H,56,72)(H,57,66)(H,58,70)(H,59,68)(H,60,71)(H4,51,52,53)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H65N15O12S2
Molecular Weight 1084.25
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 Vasopressin receptor agonist IUPHAR
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
0-41 10 1-1 0-4 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Heart Diseases 3 D006331 ClinicalTrials
Shock, Septic 3 D012772 ClinicalTrials
Myoma 3 D009214 ClinicalTrials
Heart Arrest 3 D006323 ClinicalTrials
Shock 3 D012769 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials
Hypertension, Pulmonary 2 D006976 ClinicalTrials
Pleural Effusion 2 D010996 ClinicalTrials
Child Development Disorders, Pervasive 2 D002659 ClinicalTrials
Death, Sudden, Cardiac 2 D016757 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Acute Lung Injury 2 D055371 ClinicalTrials
Hernias, Diaphragmatic, Congenital 2 D065630 ClinicalTrials
Leiomyoma 2 D007889 ClinicalTrials
Pain 1 D010146 ClinicalTrials
Hypotension 0 D007022 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 34543
ChEMBL CHEMBL373742
DrugCentral 2810
EPA CompTox DTXSID0048349
FDA SRS Y4907O6MFD
Guide to Pharmacology 2168
SureChEMBL SCHEMBL17874853
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