NAV

IDN-7314

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

Identification

Generic Name
IDN-7314
DrugBank Accession Number
DB18073
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 549.382
Monoisotopic: 549.097068877
Chemical Formula
C22H17F6N3O7
Synonyms
  • (s)-3-((s)-2-(2-((2,6-difluorophenyl)amino)-2-oxoacetamido)propanamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
  • L-alaninamide, n-(2,6-difluorophenyl)-2-oxoglycyl-n-((1s)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl)-
  • N-(2,6-difluorophenyl)-2-oxoglycyl-n-((1s)-1-(carboxymethyl)-2-oxo-3-(2,3,5,6-tetrafluorophenoxy)propyl)-l-alaninamide
External IDs
  • IDN 7314
  • IDN-7314
  • IDN7314
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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
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
WLA1SUY9N8
CAS number
254750-11-3
InChI Key
VMPUKWSLCRUGSR-SDBXPKJASA-N
InChI
InChI=1S/C22H17F6N3O7/c1-8(29-21(36)22(37)31-18-9(23)3-2-4-10(18)24)20(35)30-13(6-15(33)34)14(32)7-38-19-16(27)11(25)5-12(26)17(19)28/h2-5,8,13H,6-7H2,1H3,(H,29,36)(H,30,35)(H,31,37)(H,33,34)/t8-,13-/m0/s1
IUPAC Name
(3S)-3-[(2S)-2-{[(2,6-difluorophenyl)carbamoyl]formamido}propanamido]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid
SMILES
C[C@H](NC(=O)C(=O)NC1=C(F)C=CC=C1F)C(=O)N[C@@H](CC(O)=O)C(=O)COC1=C(F)C(F)=CC(F)=C1F

References

General References
Not Available
ChemSpider
24692148
ChEMBL
CHEMBL464235
ZINC
ZINC000044404831

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
logP2.16Chemaxon
pKa (Strongest Acidic)6.51Chemaxon
pKa (Strongest Basic)2.22Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area150.9 Å2Chemaxon
Rotatable Bond Count11Chemaxon
Refractivity114.16 m3·mol-1Chemaxon
Polarizability43.77 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)
Not Available

Drug created at September 08, 2023 21:43 / Updated at September 12, 2023 18:33