Talaporfin

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

Identification

Name
Talaporfin
Accession Number
DB11812
Type
Small Molecule
Groups
Investigational
Description

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

Structure
Thumb
Synonyms
Not Available
Product Ingredients
IngredientUNIICASInChI Key
Talaporfin SodiumL63605PZ70220201-34-3KPALSRNVSRWOPA-YJFNSWLASA-J
Categories
UNII
P4ROX5ELT2
CAS number
110230-98-3
Weight
Average: 711.772
Monoisotopic: 711.29042792
Chemical Formula
C38H41N5O9
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
Porfimer sodiumTalaporfin may increase the photosensitizing activities of Porfimer sodium.
VerteporfinTalaporfin may increase the photosensitizing activities of Verteporfin.
Food Interactions
Not Available

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentBenign Prostatic Hyperplasia (BPH) / Lower Urinary Tract Symptoms (LUTS)1
1RecruitingTreatmentPort-wine Stains (PWS)1
1TerminatedTreatmentNeurofibromas1
1, 2CompletedTreatmentHepatocellular,Carcinoma / Neoplasms, Hepatic1
2CompletedTreatmentAnaplastic Astrocytoma (AA) / Glioblastoma Multiforme (GBM) / Gliomas1
2CompletedTreatmentBenign Prostatic Hyperplasia (BPH)1
2CompletedTreatmentBenign Prostatic Hyperplasia (BPH) / Lower Urinary Tract Symptoms (LUTS)1
2CompletedTreatmentLiver Metastasis / Neoplasms Metastasis / Neoplasms, Colorectal / Neoplasms, Hepatic2
3CompletedTreatmentHepatic Metastases / Neoplasm Recurrence, Local / Neoplasms Metastasis / Neoplasms, Colorectal1
3CompletedTreatmentHepatocellular,Carcinoma / Neoplasms, Hepatic1

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
Not Available

Taxonomy

Classification
Not classified

Drug created on October 20, 2016 14:50 / Updated on November 02, 2018 09:02