OCTREOTIDE

Search structure
Synonyms:
Status: Approved (1988)
Entry Type: Protein
Molecule Category: Parent
ATC: H01CB02
UNII: RWM8CCW8GP

Structure
InChI Key DEQANNDTNATYII-OULOTJBUSA-N
Smile 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/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/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)/t28-,29-,34-,36+,37+,38-,39-,40+,41+,42+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C49H66N10O10S2
Molecular Weight 1019.26
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) Somatostatin receptor
- 22 - 0 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pancreatic Neoplasms 3 D010190 ClinicalTrials
Malignant Carcinoid Syndrome 3 D008303 ClinicalTrials
Carcinoid Tumor 3 D002276 ClinicalTrials
Polycystic Kidney, Autosomal Dominant 3 D016891 ClinicalTrials
Neuroendocrine Tumors 3 D018358 ClinicalTrials
Diarrhea 3 D003967 ClinicalTrials
Carcinoma, Hepatocellular 3 D006528 ClinicalTrials
Neuroendocrine Tumors 3 D018358 ClinicalTrials
Acromegaly 3 D000172 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Thymoma 2 D013945 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Neoplasms 2 D009369 ClinicalTrials
Adenoma, Islet Cell 2 D007516 ClinicalTrials
Meningioma 2 D008579 ClinicalTrials
Telangiectasia, Hereditary Hemorrhagic 2 D013683 ClinicalTrials
Carcinoma, Neuroendocrine 2 D018278 ClinicalTrials
Intestinal Obstruction 2 D007415 ClinicalTrials
Idiopathic Pulmonary Fibrosis 1 D054990 ClinicalTrials
Infections 1 D007239 ClinicalTrials
Migraine Disorders 1 D008881 ClinicalTrials
Hypotension, Orthostatic 1 D007024 ClinicalTrials
Irritable Bowel Syndrome 1 D043183 ClinicalTrials
Obesity 1 D009765 ClinicalTrials
Gastrointestinal Hemorrhage 1 D006471 ClinicalTrials

Related Entries

Scaffolds

Salt
Salt

Cross References

Resources Reference
CAS NUMBER 83150-76-9
ChEMBL CHEMBL1680
DrugBank DB00104
FDA SRS RWM8CCW8GP
Guide to Pharmacology 2055
PubChem 448601
SureChEMBL SCHEMBL10044649
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