OCTREOTIDE ACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1988)
Entry Type: Protein
Molecule Category: Salt
UNII: 75R0U2568I
Parent Compound: OCTREOTIDE

Structure
InChI Key XQEJFZYLWPSJOV-XJQYZYIXSA-N
Smile CC(=O)O.C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@H](CO)[C@@H](C)O)NC1=O
InChI
InChI=1S/C49H66N10O10S2.C2H4O2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41;1-2(3)4/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64);1H3,(H,3,4)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C51H70N10O12S2
Molecular Weight 1079.31
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 Somatostatin receptor agonist PubMed DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 9340 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prader-Willi Syndrome 3 D011218 ClinicalTrials
Enteritis 3 D004751 ClinicalTrials
Diabetic Retinopathy 3 D003930 ClinicalTrials
Malignant Carcinoid Syndrome 3 D008303 ClinicalTrials
Diarrhea 3 D003967 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Pituitary Neoplasms 2 D010911 ClinicalTrials
Renal Insufficiency 2 D051437 ClinicalTrials
Congenital Hyperinsulinism 2 D044903 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Obesity 2 D009765 ClinicalTrials
Thymus Neoplasms 2 D013953 ClinicalTrials
Constipation 2 D003248 ClinicalTrials
Neuroendocrine Tumors 2 D018358 ClinicalTrials
Liver Neoplasms 2 D008113 ClinicalTrials
Intestinal Obstruction 2 D007415 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
15.35
Gastrointestinal disorders
10.15
Investigations
9.5
Nervous system disorders
7.49
Injury, poisoning and procedural complications
7.17
Musculoskeletal and connective tissue disorders
7.02
Respiratory, thoracic and mediastinal disorders
5.4
Vascular disorders
4.84
Skin and subcutaneous tissue disorders
4.51
Psychiatric disorders
4.33
Cardiac disorders
4.01
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
3.83
Infections and infestations
3.31
Metabolism and nutrition disorders
2.69

Cross References

Resources Reference
ChEMBL CHEMBL1200480
FDA SRS 75R0U2568I
PDB ???
PubChem 6917964
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