Edotreotide yttrium Y-90
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Edotreotide yttrium Y-90
- DrugBank Accession Number
- DB17160
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 1508.53
Monoisotopic: 1507.499220873 - Chemical Formula
- C65H89N14O18S2Y
- Synonyms
- 90y-dota-tyr3-octreotide
- 90y-dotatoc
- 90ydotatoc
- Dotatoc yttrium Y-90
- Edotreotide 90y chelate
- Y-90 dota-tyr(3)-octreotide
- Yttrium (90y) edotreotide
- Yttrium y 90-dota-tyr3-octreotide
- Yttrium y 90-edotreotide
- Yttrium Y-90 n-((4,7,10-triscarboxymethyl-1,4,7,10-tetraazacyclododec-1-yl)acetyl)-d-phe-cys-tyr-d-trp-lys-thr-cys-thr (2-7)disulfide
- External IDs
- 90Y-SMT-487
- SMT-487 Y-90
Pharmacology
- Indication
Not Available
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- 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
- Not Available
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ABF7OG3FA3
- CAS number
- 322407-70-5
- InChI Key
- DUSFGVAHRFYHFD-LONMIUDCSA-K
- InChI
- InChI=1S/C65H92N14O18S2.Y/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53;/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90);/q;+3/p-3/t39-,40-,47+,48-,49?,50-,51-,52+,53?,58?;/m1./s1/i;1+1
- IUPAC Name
- (90Y)yttrium(3+) 2-[4-({[(1R)-1-{[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl}-7-[(1R)-1-hydroxyethyl]-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)-7,10-bis(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetate
- SMILES
- [90Y+3].C[C@@H](O)[C@@H](CO)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
References
- General References
- Not Available
- External Links
- Not Available
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Carcinoid Tumors / Medulloblastomas / Neuroblastoma (NB) / Neuroendocrine Tumors 1 2 Completed Treatment Medulloblastomas / Meningiomas / Neuroblastoma (NB) / Neuroendocrine Tumors 1 2 Terminated Treatment Diffuse Large B-Cell Lymphoma (DLBCL) / Mantle Cell Lymphoma (MCL) / Recurrent Disease 1 2 Withdrawn Treatment Malignant Carcinoid Tumor 1 0 Terminated Treatment Neuroendocrine Tumors 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.084 mg/mL ALOGPS logP 1.67 ALOGPS logP -9.6 Chemaxon logS -4.3 ALOGPS pKa (Strongest Acidic) -0.48 Chemaxon pKa (Strongest Basic) 10.28 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 23 Chemaxon Hydrogen Donor Count 14 Chemaxon Polar Surface Area 488.88 Å2 Chemaxon Rotatable Bond Count 26 Chemaxon Refractivity 397.48 m3·mol-1 Chemaxon Polarizability 144.65 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
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 22, 2022 19:53 / Updated at January 16, 2023 09:34