Compound Detail
CHEMBL1200480
OCTREOTIDE ACETATE 💊 Approved Drug
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💊 Approved Drug
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
Basic Information
| ChEMBL ID | CHEMBL1200480 |
| Name | OCTREOTIDE ACETATE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | XQEJFZYLWPSJOV-XJQYZYIXSA-N |
| Therapeutic | ✓ Yes |
| Parent Compound | CHEMBL1680 |
| Active Moiety | CHEMBL1680 |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
12
Known Names
20
Indications
1
Mechanisms
Molecular Properties
1019.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| First Approval | 1988 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Somatostatin receptor agonist | AGONIST | Somatostatin receptor | ✓ | ✓ |
Indications
Acromegaly Carcinoid Tumor Neoplasm Metastasis Neoplasms Breast Neoplasms Colorectal Neoplasms Diabetic Retinopathy Diarrhea Enteritis Malignant Carcinoid Syndrome Prader-Willi Syndrome Congenital Hyperinsulinism Constipation Intestinal Obstruction Liver Neoplasms Lymphoma Neuroendocrine Tumors Obesity Pituitary Neoplasms Prostatic Neoplasms, Castration-Resistant
Activity Summary
IC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bile salt export pump CHEMBL6020 | IC50 | 5.03 | 5.03 | 9340.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 43063.74 | ng.hr.mL-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bile salt export pump | IC50 | = | 9340.0 | nM | 5.03 | Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as... | 23956101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23956101 | 10.1093/toxsci/kft176 | Homo sapiens | 2 |
| 23956101 | 10.1093/toxsci/kft176 | Bile salt export pump | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 2 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 3 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | ATP-binding cassette sub-family C member 4 | 1 |
| 23956101 | 10.1093/toxsci/kft176 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine