NAV

Tavilermide

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

Identification

Generic Name
Tavilermide
DrugBank Accession Number
DB12441
Background

Tavilermide has been investigated for the treatment of Dry Eye Syndromes.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 580.551
Monoisotopic: 580.212905874
Chemical Formula
C24H32N6O11
Synonyms
  • Tavilermide
External IDs
  • MIM-D3
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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
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Oligopeptides
Alternative Parents
Cyclic peptides / N-acyl-alpha amino acids / Macrolactams / Alpha amino acid amides / Nitroaromatic compounds / Alkyl aryl ethers / Benzenoids / Dicarboxylic acids and derivatives / Secondary carboxylic acid amides / Amino acids
show 12 more
Substituents
Alkyl aryl ether / Allyl-type 1,3-dipolar organic compound / Alpha-amino acid amide / Alpha-amino acid or derivatives / Alpha-oligopeptide / Amine / Amino acid / Amino acid or derivatives / Aromatic heteropolycyclic compound / Azacycle
show 30 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
NMG938VJ6T
CAS number
263251-78-1
InChI Key
DVJXNXPFYJIACK-ULQDDVLXSA-N
InChI
InChI=1S/C24H32N6O11/c25-9-2-1-3-15-23(37)29-17(22(36)26-12-20(33)34)8-10-41-18-6-4-13(30(39)40)11-14(18)21(35)27-16(24(38)28-15)5-7-19(31)32/h4,6,11,15-17H,1-3,5,7-10,12,25H2,(H,26,36)(H,27,35)(H,28,38)(H,29,37)(H,31,32)(H,33,34)/t15-,16-,17-/m0/s1
IUPAC Name
3-[(4S,7S,10S)-7-(4-aminobutyl)-4-[(carboxymethyl)carbamoyl]-14-nitro-6,9,12-trioxo-3,4,5,6,7,8,9,10,11,12-decahydro-2H-1,5,8,11-benzoxatriazacyclotetradecin-10-yl]propanoic acid
SMILES
NCCCC[C@@H]1NC(=O)[C@H](CCC(O)=O)NC(=O)C2=C(OCC[C@H](NC1=O)C(=O)NCC(O)=O)C=CC(=C2)[N+]([O-])=O

References

General References
Not Available
PubChem Compound
9808372
PubChem Substance
347828682
ChemSpider
7984131
ChEMBL
CHEMBL3544981
ZINC
ZINC000136639443
Wikipedia
Tavilermide

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentDry Eye Syndrome (DES) / Keratoconjunctivitis Sicca (KCS)1
3CompletedTreatmentDry Eye Syndrome (DES)1
3CompletedTreatmentDry Eyes / Keratoconjunctivitis Sicca (KCS)1
3CompletedTreatmentKeratoconjunctivitis Sicca (KCS)2
2CompletedTreatmentDry Eyes1

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 Solubility0.228 mg/mLALOGPS
logP-2.5ALOGPS
logP-4.8Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)2.7Chemaxon
pKa (Strongest Basic)9.89Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count12Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area269.39 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity137.04 m3·mol-1Chemaxon
Polarizability56.31 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
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-240.0686124
predicted
DarkChem Lite v0.1.0
[M-H]-220.87292
predicted
DeepCCS 1.0 (2019)
[M+H]+240.3102124
predicted
DarkChem Lite v0.1.0
[M+H]+223.26848
predicted
DeepCCS 1.0 (2019)
[M+Na]+241.4470124
predicted
DarkChem Lite v0.1.0
[M+Na]+229.1393
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:24 / Updated at February 21, 2021 18:53