Dotatate

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Dotatate
Accession Number
DB14554
Type
Small Molecule
Groups
Approved, Experimental
Description
Not Available
Structure
Thumb
Synonyms
  • DOTA-octreotate
  • DOTA-TATE
  • Oxodotreotide
Active Moieties
NameKindUNIICASInChI Key
Dotatate gallium Ga-68unknown9L17Y0H71P1027785-90-5XBJPSVQFCQFGDC-WSCOIBMGSA-K
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
NetspotKit40 ug/1IntravenousAdvanced Accelerator Applications Usa, Inc2016-06-01Not applicableUs
Additional Data Available
  • Application Number
    Application Number

    A unique ID assigned by the FDA when a product is submitted for approval by the labeller.

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  • Product Code
    Product Code

    A governmentally-recognized ID which uniquely identifies the product within its regulatory market.

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Categories
UNII
MRL3739G66
CAS number
177943-88-3
Weight
Average: 1435.63
Monoisotopic: 1434.594809082
Chemical Formula
C65H90N14O19S2
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

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Additional Data Available
Adverse Effects

Comprehensive structured data on known drug adverse effects with statistical prevalence. MedDRA and ICD10 ids are provided for adverse effect conditions and symptoms.

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Additional Data Available
Contraindications

Structured data covering drug contraindications. Each contraindication describes a scenario in which the drug is not to be used. Includes restrictions on co-administration, contraindicated populations, and more.

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Additional Data Available
Blackbox Warnings

Structured data representing warnings from the black box section of drug labels. These warnings cover important and dangerous risks, contraindications, or adverse effects.

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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
Toxicity
Not Available
Affected organisms
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.

References

General References
Not Available
External Links
ChemSpider
9345959
BindingDB
50165166
RxNav
1797118
ChEMBL
CHEMBL441920

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0RecruitingDiagnosticGanglioneuroblastoma / Ganglioneuroma / Metastatic Neuroblastoma1
0RecruitingTreatmentCarcinoids / Neuroendocrine Carcinoma of Pancreas1
1RecruitingDiagnosticEndocrine Diseases / Pheochromocytomas1
1, 2Not Yet RecruitingTreatmentGastroenteropancreatico Tumors / Neuroendocrine Neoplasms / Neuroendocrine Tumors1
1, 2RecruitingDiagnosticNeuroendocrine Tumors1
1, 2RecruitingTreatmentNeuroendocrine Tumors1
2Active Not RecruitingDiagnosticCastration-Resistant Prostate Carcinoma / Metastatic Hormone Refractory Prostate Cancer / Stage IV Prostate Cancer AJCC v71
2CompletedDiagnosticHippel-Lindau Disease / Neuroendocrine Tumors / Von Hippel-Lindau Syndrome1
2Not Yet RecruitingDiagnosticMeningiomas1
2RecruitingDiagnosticHead and Neck Squamous Cell Carcinoma (HNSCC)1
2RecruitingDiagnosticNeuroendocrine Tumors / VHL Pancreatic Neuroendocrine Tumors / Von Hippel-Lindau Disease1
2RecruitingTreatmentNeuroendocrine Neoplasms / Neuroendocrine Tumors / Paraganglioma / Pheochromocytomas1
2RecruitingTreatmentNeuroendocrine Tumors1
Not AvailableActive Not RecruitingNot AvailableCardiac Sarcoidosis1
Not AvailableActive Not RecruitingNot AvailableNeuroendocrine Carcinomas1
Not AvailableActive Not RecruitingNot AvailableNeuroendocrine Tumors, NET1
Not AvailableCompletedDiagnosticSarcoidosis1
Not AvailableNo Longer AvailableNot AvailableCancers Expressing Somatostatin Receptors / Carcinoid Cancer / Medullary Thyroid Cancer (MTC) / Neuroendocrine Tumors1
Not AvailableRecruitingNot AvailableCardiac Sarcoidosis1
Not AvailableRecruitingNot AvailableNeuroendocrine Tumors1
Not AvailableRecruitingTreatmentNeuroendocrine Tumors1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
FormRouteStrength
KitIntravenous40 ug/1
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)
US9375498No2016-06-282032-08-10Us
Additional Data Available
  • Filed On
    Filed On

    The date on which a patent was filed with the relevant government.

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Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.149 mg/mLALOGPS
logP-0.85ALOGPS
logP-8.4ChemAxon
logS-4ALOGPS
pKa (Strongest Acidic)0.47ChemAxon
pKa (Strongest Basic)10.28ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count24ChemAxon
Hydrogen Donor Count17ChemAxon
Polar Surface Area497.46 Å2ChemAxon
Rotatable Bond Count26ChemAxon
Refractivity364.83 m3·mol-1ChemAxon
Polarizability144.3 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Drug created on July 13, 2018 12:48 / Updated on June 12, 2020 10:53

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