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
Thumb
Weight
Average: 1435.63
Monoisotopic: 1434.594809082
Chemical Formula
C65H90N14O19S2
Synonyms
  • DOTA-octreotate
  • DOTA-TATE
  • Oxodotreotide

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
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
Adverseeffects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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

Products2
Drug product information from 10+ global regions
Our datasets provide approved product information including:
dosage, form, labeller, route of administration, and marketing period.
Access now
Access drug product information from over 10 global regions.
Access now
Active Moieties
NameKindUNIICASInChI Key
Dotatate gallium Ga-68unknown9L17Y0H71P1027785-90-5XBJPSVQFCQFGDC-WSCOIBMGSA-K
Brand Name Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
NetspotKit40 ug/1IntravenousAdvanced Accelerator Applications Usa, Inc2016-06-01Not applicableUS flag

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
ChemSpider
9345959
BindingDB
50165166
RxNav
1797118
ChEMBL
CHEMBL441920

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingDiagnosticCastration-Resistant Prostate Carcinoma / Refractory, metastatic hormone-refractory Prostate cancer / Stage IV Prostate Cancer AJCC v71
2CompletedDiagnosticHippel Lindau Disease / Neuroendocrine Tumours (NETs) / Von Hippel-Lindau Syndrome1
2Not Yet RecruitingDiagnosticNeuroendocrine Tumours (NETs)1
2RecruitingDiagnosticMeningiomas1
2RecruitingDiagnosticMetastic Thyroid Cancer1
2RecruitingDiagnosticNeuroendocrine Tumours (NETs) / VHL Pancreatic Neuroendocrine Tumors / Von Hippel Lindau Disease1
2RecruitingDiagnosticSquamous Cell Carcinoma Head and Neck Cancer (HNSCC)1
2RecruitingTreatmentGastro Entero Pancreatic Neuroendocrine Tumors / Paragangliomas / Pheochromocytomas1
2RecruitingTreatmentNeuroendocrine Neoplasms / Neuroendocrine Tumours (NETs) / Paragangliomas / Pheochromocytomas1
2RecruitingTreatmentNeuroendocrine Tumours (NETs)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
KitIntravenous40 ug/1
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)Region
US9375498No2016-06-282032-08-10US flag

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

Drug created at July 13, 2018 18:48 / Updated at June 12, 2020 16:53