This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Dotatate
- DrugBank Accession Number
- DB14554
- Background
Not Available
- Type
- Small Molecule
- Groups
- Approved, Experimental
- Structure
Structure for Dotatate (DB14554)
- Weight
- Average: 1435.63
Monoisotopic: 1434.594809082 - Chemical Formula
- C65H90N14O19S2
- Synonyms
- DOTA-octreotate
- DOTA-TATE
- Oxodotreotide
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
- Not Available
- Absorption
Not Available
- Volume of distribution
Not Available
- Protein binding
Not Available
- Metabolism
- Not Available
- Route of elimination
Not Available
- Half-life
Not Available
- Clearance
Not Available
- Adverse Effects
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.- Toxicity
Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
- This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.Not Available
- Food Interactions
- No interactions found.
Products
Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.- Active Moieties
Name Kind UNII CAS InChI Key Dotatate gallium Ga-68 unknown 9L17Y0H71P 1027785-90-5 XBJPSVQFCQFGDC-WSCOIBMGSA-K - Brand Name Prescription Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Netspot Kit 40 ug/1 Intravenous Advanced Accelerator Applications Usa, Inc 2016-06-01 Not applicable US 
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- MRL3739G66
- CAS number
- 177943-88-3
- InChI Key
- QVFLVLMYXXNJDT-CSBVGUNJSA-N
- InChI
- InChI=1S/C65H90N14O19S2/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98)/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+/m1/s1
- IUPAC Name
- (2S,3R)-2-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-19-[(2R)-3-phenyl-2-{2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetamido}propanamido]-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]formamido}-3-hydroxybutanoic acid
- SMILES
- C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 9345959
- BindingDB
- 50165166
- 1797118
- ChEMBL
- CHEMBL441920
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Recruiting Treatment Digestive System Neuroendocrine Tumor G1 / Digestive System Neuroendocrine Tumor G2 / Hepatic Metastases / Metastatic Digestive System Neuroendocrine Neoplasm / Pancreatic Neuroendocrine Tumor G1 / Pancreatic Neuroendocrine Tumor G2 1 3 Recruiting Treatment Advanced Gastroenteropancreatic Neuroendocrine Tumor 1 3 Recruiting Treatment Neuroendocrine Tumors 1 2 Active Not Recruiting Diagnostic Carcinoma Breast Stage IV 1 2 Active Not Recruiting Treatment Gastroenteropancreatic Neuroendocrine Tumors / Paragangliomas / Pheochromocytoma 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Kit Intravenous 40 ug/1 - Prices
- Not Available
- Patents
Patent Number Pediatric Extension Approved Expires (estimated) Region US9375498 No 2016-06-28 2032-08-10 US
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.149 mg/mL ALOGPS logP -0.85 ALOGPS logP -8.4 Chemaxon logS -4 ALOGPS pKa (Strongest Acidic) 0.47 Chemaxon pKa (Strongest Basic) 10.28 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 24 Chemaxon Hydrogen Donor Count 17 Chemaxon Polar Surface Area 497.46 Å2 Chemaxon Rotatable Bond Count 26 Chemaxon Refractivity 364.83 m3·mol-1 Chemaxon Polarizability 144.3 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at July 13, 2018 18:48 / Updated at June 12, 2020 16:53