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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1680
CHEMBL1680
Compound Name OCTREOTIDE
ChEMBL Synonyms SMS-201-995 AC | SANDOSTATIN LAR | OCTREOTIDE HYDROCHLORIDE | SMS 201-995 PA | SMS995-AAA | OCTREOTIDE ACETATE (PRESERVATIVE FREE) | OCTREOTIDE ACETATE PRESERVATIVE FREE | SANDOSTATIN | Sandostatin | OCTREOTIDE ACETATE | SMS 201-995 AC | OCTREOTIDE | OCTREOTIDE PAMOATE | SMS-201-995 | SMS PA
Max Phase 4 (Approved)
Trade Names OCTREOTIDE ACETATE | Sandostatin | SANDOSTATIN | OCTREOTIDE ACETATE (PRESERVATIVE FREE) | OCTREOTIDE ACETATE PRESERVATIVE FREE | SANDOSTATIN LAR
Molecular Formula C49H66N10O10S2

Additional synonyms for CHEMBL1680 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2 ...
Download SMILES
Standard InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71- ...
Download InChI
Standard InChI Key DEQANNDTNATYII-OULOTJBUSA-N

Sources

  • British National Formulary
  • Orange Book
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1680

Molecule Features

CHEMBL1680 compound icon
Drug Type:Oligopeptide Rule of Five:N First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Somatostatin receptor agonist Somatostatin receptor DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Diabetic RetinopathyD003930EFO:0003770diabetic retinopathy3ClinicalTrials
ClinicalTrials
Idiopathic Pulmonary FibrosisD054990EFO:0000768idiopathic pulmonary fibrosis1ClinicalTrials
Malignant Carcinoid SyndromeD008303EFO:1000852carcinoid syndrome3ClinicalTrials
ClinicalTrials
NeoplasmsD009369EFO:0000311cancer3ClinicalTrials
ClinicalTrials
NeoplasmsD009369EFO:0000616neoplasm3ClinicalTrials
ClinicalTrials
Neuroendocrine TumorsD018358EFO:1001901neuroendocrine neoplasm0ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma3ClinicalTrials
Prostatic NeoplasmsD011471EFO:0001663prostate carcinoma2ClinicalTrials
ClinicalTrials
LymphomaD008223EFO:0000574lymphoma2ClinicalTrials
MeningiomaD008579Orphanet:2495Meningioma2ClinicalTrials
CarcinomaD002277EFO:0000313carcinoma2ClinicalTrials
Carcinoma, HepatocellularD006528EFO:0000182hepatocellular carcinoma3ClinicalTrials
ClinicalTrials
InfectionD007239EFO:0000544infection1ClinicalTrials
ObesityD009765EFO:0001073obesity2ClinicalTrials
ClinicalTrials
Telangiectasia, Hereditary HemorrhagicD013683Orphanet:774Hereditary hemorrhagic telangiectasia2ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
ClinicalTrials
DiarrheaD003967HP:0002014diarrhea3ClinicalTrials
ClinicalTrials
Gastrointestinal HemorrhageD006471HP:0002239gastrointestinal hemorrhage1ClinicalTrials
Polycystic Kidney, Autosomal DominantD016891EFO:1001496Autosomal dominant polycystic kidney disease3ClinicalTrials
ThymomaD013945EFO:1000581Thymoma2ClinicalTrials
AcromegalyD000172EFO:1001485acromegaly3ClinicalTrials
ClinicalTrials
Carcinoid TumorD002276EFO:0004243carcinoid tumor3ClinicalTrials
Hypotension, OrthostaticD007024EFO:0005252orthostatic hypotension1ClinicalTrials
Migraine DisordersD008881EFO:0003821migraine disorder1ClinicalTrials
Prader-Willi SyndromeD011218Orphanet:739Prader-Willi syndrome3ClinicalTrials
Adenoma, Islet CellD007516EFO:0007331islet cell tumor2ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0003860pancreatic neoplasm3ClinicalTrials
Congenital HyperinsulinismD044903Orphanet:657Congenital isolated hyperinsulinism2ClinicalTrials
Pituitary NeoplasmsD010911EFO:0005578pituitary cancer2ClinicalTrials
Thymus NeoplasmsD013953EFO:0002626thymus neoplasm2ClinicalTrials

Clinical Data

ClinicalTrials.gov OCTREOTIDE
The Cochrane Collaboration OCTREOTIDE

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
1019.3 1018.4405 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL1680

Compound Cross References

ATC H - SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
H01 - PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
H01C - HYPOTHALAMIC HORMONES
H01CB - Somatostatin and analogues
H01CB02 - octreotide

ChemSpider ChemSpider:DEQANNDTNATYII-OULOTJBUSA-N
DailyMed octreotide acetate
PubChem SID: 50126343
Wikipedia Octreotide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1680



BindingDB 50272772
DrugBank DB00104
eMolecules 6843567 29540888
FDA SRS RWM8CCW8GP
IBM Patent System 8600CD51FF1AFB9F2925A1D03E63BBF3
MolPort MolPort-009-194-181
Nikkaji J23.724H
PubChem 448601
PubChem: Thomson Pharma 16901119 14792217
SureChEMBL SCHEMBL10044649

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DEQANNDTNATYII-OULOTJBUSA-N spacer
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