Compound Detail
CHEMBL1680
OCTREOTIDE 💊 Approved Drug
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💊 Approved Drug
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 | CHEMBL1680 |
| Name | OCTREOTIDE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | DEQANNDTNATYII-OULOTJBUSA-N |
| Therapeutic | ✓ Yes |
3
Targets
4
Activities
3
Assay Types
2
PK Parameters
11
Publications
6
Known Names
20
Indications
Molecular Properties
1019.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| First Approval | 1988 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Indications
Acromegaly Carcinoid Tumor Carcinoid Tumor Carcinoma, Hepatocellular Diarrhea Malignant Carcinoid Syndrome Neuroendocrine Tumors Neuroendocrine Tumors Pancreatic Neoplasms Polycystic Kidney, Autosomal Dominant Adenoma, Islet Cell Carcinoma, Neuroendocrine Intestinal Obstruction Meningioma Neoplasms Neoplasms Prostatic Neoplasms, Castration-Resistant Telangiectasia, Hereditary Hemorrhagic Thymoma Gastrointestinal Hemorrhage
ATC Classification
H01CB02
octreotide
Level 1: SYSTEMIC HORMONAL PREPARATIONS, EXCL. SEX HORMONES AND INSULINS
Level 2: PITUITARY AND HYPOTHALAMIC HORMONES AND ANALOGUES
Activity Summary
Ki 2 meas. best 9.4
EC50 1 meas. best 10.52
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | EC50 | 10.52 | 10.52 | 0.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 7.18 | 7.18 | 66.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 24.0 | hr | - |
| T1/2 | 8.3 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | EC50 | = | 0.03 | nM | 10.52 | Agonist activity at human SSTR2 expressed in CHO-K1 cells assessed as inhibition... | 34626901 |
| Somatostatin receptor type 2 | Ki | = | 0.4 | nM | 9.4 | Binding affinity to human SST2 receptor | 30746066 |
| Somatostatin receptor type 5 | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human SSTR5 by radioligand binding assay | 30503939 |
| Somatostatin receptor type 4 | Ki | = | 66.0 | nM | 7.18 | Binding affinity to human SST4 receptor | 30746066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28288109 | 10.1038/nchembio.2334 | Mas-related G-protein coupled receptor member X2 | 3 |
| 26948801 | 10.1016/j.drudis.2016.02.015 | Homo sapiens | 2 |
| 35420805 | 10.1021/acs.jmedchem.2c00094 | ADMET | 2 |
| 30017114 | 10.1016/j.bmc.2018.06.032 | Somatostatin receptor type 2 | 1 |
| 30017114 | 10.1016/j.bmc.2018.06.032 | Somatostatin receptor type 3 | 1 |
| 30017114 | 10.1016/j.bmc.2018.06.032 | Somatostatin receptor type 5 | 1 |
| 30503939 | 10.1016/j.ejmech.2018.11.030 | Somatostatin receptor type 5 | 1 |
| 30503939 | 10.1016/j.ejmech.2018.11.030 | Somatostatin receptor type 4 | 1 |
| 30746066 | 10.1039/C8MD00388B | Somatostatin receptor type 2 | 1 |
| 30746066 | 10.1039/C8MD00388B | Somatostatin receptor type 4 | 1 |
| 34626901 | 10.1016/j.bmc.2021.116424 | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine