Gallium-68 PSMA

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

Identification

Generic Name
Gallium-68 PSMA
DrugBank Accession Number
DB16303
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 947.005
Monoisotopic: 946.41714456
Chemical Formula
C44H62N6O17
Synonyms
  • Psma-hbed-cc

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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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Improve decision support & research outcomes with our structured adverse effects data.
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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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
9AG41L3AOQ
CAS number
1366302-52-4
InChI Key
QJUIUFGOTBRHKP-LQJZCPKCSA-N
InChI
InChI=1S/C44H62N6O17/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67)/t32-,33-/m0/s1
IUPAC Name
(2S)-2-({[(1S)-1-carboxy-5-(6-{3-[3-({[2-({[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl}(carboxymethyl)amino)ethyl](carboxymethyl)amino}methyl)-4-hydroxyphenyl]propanamido}hexanamido)pentyl]carbamoyl}amino)pentanedioic acid
SMILES
OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=CC=C(O)C(CN(CCN(CC(O)=O)CC2=CC(CCC(O)=O)=CC=C2O)CC(O)=O)=C1)C(O)=O)C(O)=O

References

General References
Not Available
ChemSpider
58827810
ChEMBL
CHEMBL3578202
ZINC
ZINC000203341463

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingDiagnosticProstate Cancer1
2Active Not RecruitingDiagnosticAdenocarcinoma, Prostate / Biochemically Recurrent Prostate Carcinoma / Prostate Cancer / PSA Level Greater Than Fifty / PSA Progression / Refractory, metastatic hormone-refractory Prostate cancer / Stage IV Prostate Cancer AJCC v8 / Stage IVA Prostate Cancer AJCC v8 / Stage IVB Prostate Cancer AJCC v81
2CompletedDiagnosticLatent Cancer (Prostate)1
2CompletedDiagnosticRecurrent Prostate Carcinoma1
2Not Yet RecruitingDiagnosticCastration-Resistant Prostate Carcinoma / Refractory, metastatic hormone-refractory Prostate cancer / Stage IV Prostate Cancer AJCC v8 / Stage IVA Prostate Cancer AJCC v8 / Stage IVB Prostate Cancer AJCC v81
2Not Yet RecruitingDiagnosticRecurrent Prostate Carcinoma / Refractory, metastatic hormone-refractory Prostate cancer / Stage IV Prostate Cancer AJCC v8 / Stage IVA Prostate Cancer AJCC v8 / Stage IVB Prostate Cancer AJCC v81
2RecruitingDiagnosticAdenocarcinoma, Prostate / Biochemically Recurrent Prostate Carcinoma / Castration-Resistant Prostate Carcinoma / Refractory, metastatic hormone-refractory Prostate cancer / Stage IV Prostate Cancer AJCC v8 / Stage IVA Prostate Cancer AJCC v8 / Stage IVB Prostate Cancer AJCC v81
2RecruitingDiagnosticAdenocarcinoma, Prostate / Prostate Cancer / Prostate Cancer - Recurrent / Refractory, metastatic hormone-refractory Prostate cancer1
2RecruitingDiagnosticHepatocellular Carcinoma1
2RecruitingScreeningProstate Cancer1

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 Solubility0.059 mg/mLALOGPS
logP0.41ALOGPS
logP-3.2ChemAxon
logS-4.2ALOGPS
pKa (Strongest Acidic)0.85ChemAxon
pKa (Strongest Basic)9.5ChemAxon
Physiological Charge-5ChemAxon
Hydrogen Acceptor Count19ChemAxon
Hydrogen Donor Count12ChemAxon
Polar Surface Area370.07 Å2ChemAxon
Rotatable Bond Count35ChemAxon
Refractivity235.64 m3·mol-1ChemAxon
Polarizability98.3 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created on December 15, 2020 18:18 / Updated on December 20, 2020 03:41