This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- X-396
- DrugBank Accession Number
- DB13104
- Background
X-396 has been used in trials studying the treatment of Advanced Solid Tumors and Non-small Cell Lung Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for X-396 (DB13104)
- Weight
- Average: 547.41
Monoisotopic: 546.1349223 - Chemical Formula
- C25H25Cl2FN6O3
- Synonyms
- Not Available
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
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareArticaine The risk or severity of methemoglobinemia can be increased when X-396 is combined with Articaine. Benzocaine The risk or severity of methemoglobinemia can be increased when X-396 is combined with Benzocaine. Benzyl alcohol The risk or severity of methemoglobinemia can be increased when X-396 is combined with Benzyl alcohol. Bupivacaine The risk or severity of methemoglobinemia can be increased when X-396 is combined with Bupivacaine. Butacaine The risk or severity of methemoglobinemia can be increased when X-396 is combined with Butacaine. Butamben The risk or severity of methemoglobinemia can be increased when X-396 is combined with Butamben. Capsaicin The risk or severity of methemoglobinemia can be increased when X-396 is combined with Capsaicin. Chloroprocaine The risk or severity of methemoglobinemia can be increased when X-396 is combined with Chloroprocaine. Cinchocaine The risk or severity of methemoglobinemia can be increased when X-396 is combined with Cinchocaine. Cocaine The risk or severity of methemoglobinemia can be increased when X-396 is combined with Cocaine. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as aromatic anilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with an aromatic group. They have the general structure RNC(=O)R', where R= benzene, and R = aryl group.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Anilides
- Direct Parent
- Aromatic anilides
- Alternative Parents
- Benzamides / 2-heteroaryl carboxamides / Benzoyl derivatives / Dichlorobenzenes / Alkyl aryl ethers / Aminopyridazines / N-methylpiperazines / Fluorobenzenes / Aryl chlorides / Aryl fluorides show 12 more
- Substituents
- 1,3-dichlorobenzene / 1,4-diazinane / 2-heteroaryl carboxamide / Alkyl aryl ether / Amine / Amino acid or derivatives / Aminopyridazine / Aromatic anilide / Aromatic heteromonocyclic compound / Aryl chloride show 33 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 7DR7JMB8BH
- CAS number
- 1365267-27-1
- InChI Key
- ONPGOSVDVDPBCY-CQSZACIVSA-N
- InChI
- InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1
- IUPAC Name
- 6-amino-5-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide
- SMILES
- C[C@@H](OC1=CC(=NN=C1N)C(=O)NC1=CC=C(C=C1)C(=O)N1CCN(C)CC1)C1=C(Cl)C=CC(F)=C1Cl
References
- General References
- Not Available
- External Links
- PubChem Compound
- 56960447
- PubChem Substance
- 347829228
- ChemSpider
- 30811339
- BindingDB
- 50432894
- ChEMBL
- CHEMBL2376648
- ZINC
- ZINC000096258164
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 0.0181 mg/mL ALOGPS logP 3.64 ALOGPS logP 3.5 Chemaxon logS -4.5 ALOGPS pKa (Strongest Acidic) 11.48 Chemaxon pKa (Strongest Basic) 6.85 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 113.68 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 144.18 m3·mol-1 Chemaxon Polarizability 55.21 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 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
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 03:07 / Updated at December 08, 2022 21:18