AFN-1252

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

Identification

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Name
AFN-1252
Accession Number
DB12658
Type
Small Molecule
Groups
Investigational
Description

AFN-1252 has been used in trials studying the treatment of Cellulitis, Burn Infection, Wound Infection, Cutaneous Abscess, and Skin and Subcutaneous Tissue Bacterial Infections.

Structure
Thumb
Synonyms
Not Available
External IDs
API 1252 / API-1252
Categories
UNII
T3O718IKKM
CAS number
620175-39-5
Weight
Average: 375.428
Monoisotopic: 375.158291548
Chemical Formula
C22H21N3O3
InChI Key
QXTWSUQCXCWEHF-JXMROGBWSA-N
InChI
InChI=1S/C22H21N3O3/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26)/b10-7+
IUPAC Name
(2E)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)prop-2-enamide
SMILES
CN(CC1=C(C)C2=CC=CC=C2O1)C(=O)\C=C\C1=CC2=C(NC(=O)CC2)N=C1

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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10407120
PubChem Substance
347828862
ChemSpider
8582558
BindingDB
50052244
ChEMBL
CHEMBL1652621

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBurn Infection / Cellulitis / Cutaneous Abscess / Skin and Subcutaneous Tissue Bacterial Infections / Wound Infections1

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 Solubility0.0427 mg/mLALOGPS
logP3.21ALOGPS
logP3.01ChemAxon
logS-3.9ALOGPS
pKa (Strongest Acidic)12.03ChemAxon
pKa (Strongest Basic)3.57ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area75.44 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity109.33 m3·mol-1ChemAxon
Polarizability41.48 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazanaphthalenes
Sub Class
Naphthyridines
Direct Parent
Naphthyridines
Alternative Parents
Benzofurans / Pyridines and derivatives / Imidolactams / Benzenoids / Tertiary carboxylic acid amides / Heteroaromatic compounds / Furans / Secondary carboxylic acid amides / Lactams / Oxacyclic compounds
show 5 more
Substituents
Naphthyridine / Benzofuran / Pyridine / Benzenoid / Imidolactam / Furan / Heteroaromatic compound / Tertiary carboxylic acid amide / Carboxamide group / Lactam
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 17:29 / Updated on June 04, 2019 07:41