NAV

Talaporfin

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

Identification

Generic Name
Talaporfin
DrugBank Accession Number
DB11812
Background

Talaporfin has been investigated for the treatment of Port-Wine Stain and Benign Prostatic Hyperplasia.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 711.772
Monoisotopic: 711.29042792
Chemical Formula
C38H41N5O9
Synonyms
  • Talaporfin
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
Integrate drug-drug
interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Talaporfin is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Talaporfin is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Talaporfin is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Talaporfin is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Talaporfin is combined with Bupivacaine.
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Talaporfin SodiumL63605PZ70220201-34-3KPALSRNVSRWOPA-YJFNSWLASA-J

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
P4ROX5ELT2
CAS number
110230-98-3
InChI Key
VSEIDZLLWQQJGK-WSUYNKMOSA-N
InChI
InChI=1S/C38H41N5O9/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-/t18-,22-,30-/m0/s1
IUPAC Name
(2S)-2-{2-[(4S,5S)-20-carboxy-4-(2-carboxyethyl)-10-ethenyl-15-ethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-2-yl]acetamido}butanedioic acid
SMILES
CCC1=C(C)\C2=C\C3=C(C=C)C(C)=C(N3)\C=C3/N=C([C@@H](CCC(O)=O)[C@@H]3C)/C(/CC(=O)N[C@@H](CC(O)=O)C(O)=O)=C3\N\C(=C/C1=N2)C(C)=C3C(O)=O

References

General References
Not Available
PubChem Compound
5486799
PubChem Substance
347828159
ChemSpider
16737134
ChEBI
135875
ChEMBL
CHEMBL2111186
Wikipedia
Talaporfin

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentColorectal Neoplasms / Hepatic Metastases / Metastatic Cancer / Recurrence, Local Neoplasm1
3CompletedTreatmentHepatocellular Carcinoma / Neoplasms, Hepatic1
2CompletedTreatmentAnaplastic Astrocytoma (AA) / Glioblastoma Multiforme (GBM) / Glioma1
2CompletedTreatmentBenign Prostatic Hyperplasia (BPH)1
2CompletedTreatmentBenign Prostatic Hyperplasia (BPH) / Lower Urinary Tract Symptoms (LUTS)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
PropertyValueSource
Water Solubility0.00797 mg/mLALOGPS
logP2.23ALOGPS
logP2.58Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)2.79Chemaxon
pKa (Strongest Basic)5.45Chemaxon
Physiological Charge-4Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area235.66 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity189.23 m3·mol-1Chemaxon
Polarizability76.96 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-00ou-0000009000-4db0c253b3a037e43a66
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0000009000-7eee9e788bdd8d1c6b6e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00sj-0000049000-34b605afcf32643480f8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0000059000-7dbac4afa5ea37f6a14d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fk9-0000096000-cb3c254a0532cbee9973
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00dl-2100479000-43a388c62d74376e2703
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-267.36075
predicted
DeepCCS 1.0 (2019)
[M+H]+269.25616
predicted
DeepCCS 1.0 (2019)
[M+Na]+275.37173
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:50 / Updated at February 21, 2021 18:53