Zoptarelin doxorubicin

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

Identification

Generic Name
Zoptarelin doxorubicin
DrugBank Accession Number
DB12755
Background

Zoptarelin doxorubicin has been used in trials studying the treatment of Breast Cancer, Ovarian Cancer, Prostate Cancer, Endometrial Cancer, and Urothelial Carcinoma, among others.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 1893.044
Monoisotopic: 1891.841714963
Chemical Formula
C91H117N19O26
Synonyms
  • Zoptarelin doxorubicin

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
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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.
DrugInteraction
MargetuximabThe risk or severity of cardiotoxicity can be increased when Margetuximab is combined with Zoptarelin doxorubicin.
TrastuzumabThe risk or severity of cardiotoxicity can be increased when Trastuzumab is combined with Zoptarelin doxorubicin.
Interactions
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Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Zoptarelin doxorubicin acetate4IA03SIO301928750-34-8KNFBFAYGLUSKNV-GOXRTRPTSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
27844X2J29
CAS number
139570-93-7
InChI Key
OOUACICUAVTCEC-LZHWUUGESA-N
InChI
InChI=1S/C91H117N19O26/c1-44(2)31-58(83(125)104-57(17-11-29-98-90(94)95)89(131)110-30-12-18-63(110)88(130)100-40-67(93)114)105-81(123)55(16-7-8-28-97-68(115)20-10-21-70(117)134-42-66(113)91(132)36-52-73(65(37-91)136-71-35-53(92)76(118)45(3)135-71)80(122)75-74(78(52)120)77(119)51-14-9-19-64(133-4)72(51)79(75)121)103-84(126)59(32-46-22-24-49(112)25-23-46)106-87(129)62(41-111)109-85(127)60(33-47-38-99-54-15-6-5-13-50(47)54)107-86(128)61(34-48-39-96-43-101-48)108-82(124)56-26-27-69(116)102-56/h5-6,9,13-15,19,22-25,38-39,43-45,53,55-63,65,71,76,99,111-112,118,120,122,132H,7-8,10-12,16-18,20-21,26-37,40-42,92H2,1-4H3,(H2,93,114)(H,96,101)(H,97,115)(H,100,130)(H,102,116)(H,103,126)(H,104,125)(H,105,123)(H,106,129)(H,107,128)(H,108,124)(H,109,127)(H4,94,95,98)/t45-,53-,55+,56-,57-,58-,59-,60-,61-,62-,63-,65-,71-,76+,91-/m0/s1
IUPAC Name
2-[(2S,4S)-4-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl]-2-oxoethyl 4-{[(5R)-5-{[(1S)-1-{[(2S)-5-carbamimidamido-1-[(2S)-2-[(carbamoylmethyl)carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}-5-[(2S)-2-[(2S)-3-hydroxy-2-[(2S)-2-[(2S)-3-(1H-imidazol-5-yl)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanamido]-3-(1H-indol-3-yl)propanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]pentyl]carbamoyl}butanoate
SMILES
[H]OC[C@H](NC(=O)[C@H](CC1=CN([H])C2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC1=CC=C(O[H])C=C1)C(=O)N[C@H](CCCCNC(=O)CCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@@]2([H])C[C@H](N)[C@H](O)[C@H](C)O2)C2=C(O)C3=C(C(O)=C2C1)C(=O)C1=CC=CC(OC)=C1C3=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

References

General References
Not Available
PubChem Substance
347911374
ChemSpider
17290938
ChEMBL
CHEMBL3544954
Wikipedia
Zoptarelin_doxorubicin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentEndometrial Cancer1
2CompletedTreatmentEndometrial Cancer / Ovarian Cancer1
2TerminatedTreatmentBreast Cancer1
1, 2CompletedTreatmentHormone Resistant Prostate Cancer / Prostate Cancer / Prostate Cancer - Recurrent / Stage IV Prostate Cancer1
1, 2TerminatedTreatmentTransitional Cell, Carcinoma1

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
PropertyValueSource
Water Solubility0.0463 mg/mLALOGPS
logP0.58ALOGPS
logP-4.1ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)8.02ChemAxon
pKa (Strongest Basic)11.97ChemAxon
Physiological Charge2ChemAxon
Hydrogen Acceptor Count30ChemAxon
Hydrogen Donor Count23ChemAxon
Polar Surface Area713.37 Å2ChemAxon
Rotatable Bond Count47ChemAxon
Refractivity490.64 m3·mol-1ChemAxon
Polarizability196.17 Å3ChemAxon
Number of Rings11ChemAxon
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 on October 21, 2016 00:03 / Updated on May 22, 2021 06:01