OXYTOCIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1980)
Entry Type: Protein
Molecule Category: UNKNOWN
ATC: H01BB02
UNII: 1JQS135EYN

Structure
InChI Key XNOPRXBHLZRZKH-DSZYJQQASA-N
Smile CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
InChI
InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C43H66N12O12S2
Molecular Weight 1007.21
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 Oxytocin receptor agonist ISBN FDA
Primary Target
OT receptor
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
0-26 3 7-7 0-10 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Postpartum Hemorrhage 3 D006473 ClinicalTrials
Dystocia 3 D004420 ClinicalTrials
Alcoholism 3 D000437 ClinicalTrials
Child Development Disorders, Pervasive 3 D002659 ClinicalTrials
Frontotemporal Dementia 2 D057180 ClinicalTrials
Sexual Dysfunction, Physiological 2 D012735 ClinicalTrials
Fragile X Syndrome 2 D005600 ClinicalTrials
Obsessive-Compulsive Disorder 2 D009771 ClinicalTrials
Obesity 2 D009765 ClinicalTrials
Prader-Willi Syndrome 2 D011218 ClinicalTrials
Substance Withdrawal Syndrome 2 D013375 ClinicalTrials
Autistic Disorder 2 D001321 ClinicalTrials
Cocaine-Related Disorders 2 D019970 ClinicalTrials
Neuralgia 2 D009437 ClinicalTrials
Stress Disorders, Post-Traumatic 2 D013313 ClinicalTrials
Mood Disorders 2 D019964 ClinicalTrials
Carcinoma, Intraductal, Noninfiltrating 2 D002285 ClinicalTrials
Myocardial Infarction 2 D009203 ClinicalTrials
Sleep Apnea, Obstructive 2 D020181 ClinicalTrials
Weight Gain 2 D015430 ClinicalTrials
Atrophy 2 D001284 ClinicalTrials
Atrophic Vaginitis 2 D059268 ClinicalTrials
Phobia, Social 2 D000072861 ClinicalTrials
Aging 2 D000375 ClinicalTrials
Chronic Pain 2 D059350 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Osteoarthritis, Knee 2 D020370 ClinicalTrials
Mental Disorders 2 D001523 ClinicalTrials
Severe Acute Respiratory Syndrome 2 D045169 ClinicalTrials
Osteoarthritis 2 D010003 ClinicalTrials
Pain 2 D010146 ClinicalTrials
Diabetes Insipidus 1 D003919 ClinicalTrials
Opioid-Related Disorders 1 D009293 ClinicalTrials
Memory Disorders 1 D008569 ClinicalTrials
Psychotic Disorders 1 D011618 ClinicalTrials
Neurodevelopmental Disorders 1 D065886 ClinicalTrials
Depressive Disorder, Major 1 D003865 ClinicalTrials
Opioid-Related Disorders 1 D009293 ClinicalTrials
Inflammation 1 D007249 ClinicalTrials
Sleep Apnea Syndromes 0 D012891 ClinicalTrials
Gastroparesis 0 D018589 ClinicalTrials
Arrhythmias, Cardiac 0 D001145 ClinicalTrials
Anorexia Nervosa 0 D000856 ClinicalTrials
Substance-Related Disorders 0 D019966 ClinicalTrials
Attention Deficit Disorder with Hyperactivity 0 D001289 ClinicalTrials
Pre-Eclampsia 0 D011225 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
23.07
Injury, poisoning and procedural complications
16.68
Vascular disorders
12.78
General disorders and administration site conditions
11.83
Cardiac disorders
6.47
Respiratory, thoracic and mediastinal disorders
5.73
Nervous system disorders
5.36
Investigations
4.7
Reproductive system and breast disorders
2.42

Cross References

Resources Reference
CAS NUMBER 50-56-6
ChEBI 7872
ChEMBL CHEMBL395429
DrugCentral 2042
EPA CompTox DTXSID8048361
FDA SRS 1JQS135EYN
Guide to Pharmacology 2176
KEGG C00746
PharmGKB PA450760
PubChem 439302
SureChEMBL SCHEMBL29048
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