VL-2397
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- VL-2397
- DrugBank Accession Number
- DB17796
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 914.951
Monoisotopic: 914.4078455 - Chemical Formula
- C40H59AlN10O13
- Synonyms
- ASP-2397
- ASP2397
- Cyclo(-asn-leu-d-phe-al((n5-acetyl-n5-hydroxy-orn)-(n5-acetyl-n5-hydroxy-orn)-(n5-hydroxy-orn))-) . al(iii)
- Cyclo(l-asparaginyl-l-leucyl-d-phenylalanyl-n5-acetyl-n5-hydroxy-l-ornithyl-n5-acetyl-n5-hydroxy-l-ornithyl-n5-acetyl-n5-hydroxy-l-ornithyl), aluminum salt (1:1)
- Cyclo{-asn-leu-d-phe-al[(N5-acetyl-N5-hydroxy-orn)-(N5-acetyl-N5-hydroxy-orn)-(N5-hydroxy-orn)]-} . Al(III)
- VL-2397
- External IDs
- ASP-2397
- ASP2397
- VL-2397
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- E39B3691TD
- CAS number
- 1186200-57-6
- InChI Key
- NRHTWBFQTMOOKS-FELWXBABSA-N
- InChI
- InChI=1S/C40H59N10O13.Al/c1-23(2)20-31-38(58)46-32(21-27-12-7-6-8-13-27)39(59)44-29(15-10-18-49(62)25(4)52)36(56)42-28(14-9-17-48(61)24(3)51)35(55)43-30(16-11-19-50(63)26(5)53)37(57)47-33(22-34(41)54)40(60)45-31;/h6-8,12-13,23,28-33H,9-11,14-22H2,1-5H3,(H2,41,54)(H,42,56)(H,43,55)(H,44,59)(H,45,60)(H,46,58)(H,47,57);/q-3;+3/t28-,29-,30-,31-,32+,33-;/m0./s1
- IUPAC Name
- aluminium(3+) N-{3-[(2S,5S,8S,11R,14S,17S)-11-benzyl-5-(carbamoylmethyl)-8-(2-methylpropyl)-14,17-bis[3-(N-oxidoacetamido)propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl]propyl}-N-oxidoacetamide
- SMILES
- [Al+3].CC(C)C[C@@H]1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCN([O-])C(C)=O)NC(=O)[C@H](CCCN([O-])C(C)=O)NC(=O)[C@H](CCCN([O-])C(C)=O)NC(=O)[C@@H](CC2=CC=CC=C2)NC1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 64854363
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Terminated Treatment Aspergillosis; Pulmonary, Invasive (Etiology) / Invasive Aspergillosis 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
Property Value Source logP -4 Chemaxon Physiological Charge 3 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 7 Chemaxon Polar Surface Area 347.8 Å2 Chemaxon Rotatable Bond Count 18 Chemaxon Refractivity 218.33 m3·mol-1 Chemaxon Polarizability 90.18 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at May 11, 2023 19:18 / Updated at May 13, 2023 04:08