| CAS ID: | 83150-76-9 |
| Molecular Formula: | C49H66N10O10S2 |
| Molecular Weight: | 1019.3 g/mol |
| Monoisotopic Mass: | 1018.4405 g/mol |
| Class: | Peptide |
| Natural Product: | No |
| Other Names: | 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 |
| Analysis: | Drug repositioning mechanism analysis |
| 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 | See All |
| InChI Key: | DEQANNDTNATYII-OULOTJBUSA-N | |
| Smiles: | C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1 | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 24291170 | Target ID | |
| Uniprot ID | Name | ||
| Model | vitro | Fibrosis Disease | Liver fibrosis |
| Process I | |||
| Process II | HSCs proliferation | ||
| Process III | |||
| Mechanism | |||
Trial Record 1
| ClinicalTrial ID | NCT00463983 | Disease | Idiopathic pulmonary fibrosis |
| Phase | Phase 1,Phase 2 | Status | Completed |
| First Received | April 20, 2007 | Last Verified | September 21, 2012 |
| Sponsor | Institut National de la Santé Et de la Recherche Médicale, France | ||
Trial Record 2
| ClinicalTrial ID | NCT01587222 | Disease | Renal fibrosis |
| Phase | Phase 2 | Status | Withdrawn |
| First Received | April 30, 2012 | Last Verified | February 15, 2019 |
| Sponsor | Anna Cruceta | ||
Trial Record 3
| ClinicalTrial ID | NCT00966355 | Disease | Fibrosis |
| Phase | Phase 4 | Status | Completed |
| First Received | August 26, 2009 | Last Verified | March 19, 2018 |
| Sponsor | Korea University | ||
Trial Record 4
| ClinicalTrial ID | NCT00534677 | Disease | Liver fibrosis |
| Phase | Phase 4 | Status | Completed |
| First Received | September 26, 2007 | Last Verified | December 5, 2007 |
| Sponsor | Aga Khan University | ||
Trial Record 5
| ClinicalTrial ID | NCT00742339 | Disease | Liver fibrosis |
| Phase | Phase 2,Phase 3 | Status | Terminated |
| First Received | August 27, 2008 | Last Verified | October 15, 2014 |
| Sponsor | University of Padova | ||
Trial Record 6
| ClinicalTrial ID | NCT01188733 | Disease | Liver fibrosis |
| Phase | Phase 1,Phase 2 | Status | Completed |
| First Received | August 25, 2010 | Last Verified | August 25, 2010 |
| Sponsor | Mayo Clinic | ||
| PubChem: | 448601 |
| ChEMBL: | CHEMBL1680 |