2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a
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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
- 2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a
- DrugBank Accession Number
- DB15243
- Background
2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a is under investigation in clinical trial NCT01668823 (Photodynamic Therapy in Treating Patients With Lung Cancer).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 636.837
Monoisotopic: 636.367556042 - Chemical Formula
- C39H48N4O4
- Synonyms
- 3-PHORBINEPROPANOIC ACID, 14-ETHYL-9-(1-(HEXYLOXY)ETHYL)-4,8,13,18-TETRAMETHYL-20-OXO-, (3S,4S)-
- HPPH
- PHOTOCHLOR
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- International/Other Brands
- Photochlor
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- DOB7Y3RSX0
- CAS number
- 149402-51-7
- InChI Key
- PVXGCBZIVFCMJK-NMWXTPPCSA-N
- InChI
- InChI=1S/C39H48N4O4/c1-8-10-11-12-15-47-24(7)36-22(5)30-17-29-21(4)26(13-14-35(45)46)38(42-29)27-16-34(44)37-23(6)31(43-39(27)37)18-32-25(9-2)20(3)28(40-32)19-33(36)41-30/h17-19,21,24,26,41,43H,8-16H2,1-7H3,(H,45,46)/b28-19-,29-17-,30-17-,31-18-,32-18-,33-19-,38-27-/t21-,24?,26-/m0/s1
- IUPAC Name
- 3-[(21S,22S)-11-ethyl-16-[1-(hexyloxy)ethyl]-12,17,21,26-tetramethyl-4-oxo-7,23,24,25-tetraazahexacyclo[18.2.1.1^{5,8}.1^{10,13}.1^{15,18}.0^{2,6}]hexacosa-1(23),2(6),5(26),8,10(25),11,13,15,17,19-decaen-22-yl]propanoic acid
- SMILES
- CCCCCCOC(C)C1=C2NC(\C=C3/N=C([C@@H](CCC(O)=O)[C@@H]3C)C3=C4N\C(=C/C5=N/C(=C\2)/C(C)=C5CC)C(C)=C4C(=O)C3)=C1C
References
- General References
- Not Available
- External Links
- ChemSpider
- 24710790
- ChEMBL
- CHEMBL500853
- Wikipedia
- 2-(1-Hexyloxyethyl)-2-devinyl_pyropheophorbide-a
Clinical Trials
- Clinical Trials
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 0.0112 mg/mL ALOGPS logP 6.37 ALOGPS logP 7.53 Chemaxon logS -4.8 ALOGPS pKa (Strongest Acidic) 3.75 Chemaxon pKa (Strongest Basic) 5.04 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 120.96 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 185.78 m3·mol-1 Chemaxon Polarizability 77.71 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 20, 2019 15:03 / Updated at July 18, 2023 22:57