This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- ABT-751
- DrugBank Accession Number
- DB12254
- Background
ABT-751 has been investigated for the treatment of Lung Cancer, Non-Small Cell Lung Cancer, and Non-Small-Cell Lung Cancer.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for ABT-751 (DB12254)
- Weight
- Average: 371.41
Monoisotopic: 371.093976737 - Chemical Formula
- C18H17N3O4S
- Synonyms
- N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide
- External IDs
- ABT-751
- E 7010
- E-7010
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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Benzenesulfonamides
- Direct Parent
- Benzenesulfonamides
- Alternative Parents
- Benzenesulfonyl compounds / p-Aminophenols / Phenoxy compounds / Methoxybenzenes / Anisoles / Aniline and substituted anilines / 1-hydroxy-2-unsubstituted benzenoids / Alkyl aryl ethers / Aminopyridines and derivatives / Organosulfonamides show 8 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / Alkyl aryl ether / Amine / Aminophenol / Aminopyridine / Aminosulfonyl compound / Aniline or substituted anilines / Anisole / Aromatic heteromonocyclic compound / Azacycle show 25 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- WDT5V5OB9F
- CAS number
- 141430-65-1
- InChI Key
- URCVCIZFVQDVPM-UHFFFAOYSA-N
- InChI
- InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)
- IUPAC Name
- N-{2-[(4-hydroxyphenyl)amino]pyridin-3-yl}-4-methoxybenzene-1-sulfonamide
- SMILES
- COC1=CC=C(C=C1)S(=O)(=O)NC1=C(NC2=CC=C(O)C=C2)N=CC=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0247766
- PubChem Compound
- 3035714
- PubChem Substance
- 347828529
- ChemSpider
- 2299887
- BindingDB
- 50101086
- ChEBI
- 95043
- ChEMBL
- CHEMBL20684
- ZINC
- ZINC000000598089
- PDBe Ligand
- E70
- PDB Entries
- 3hkc
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Breast Cancer 1 2 Completed Treatment Colorectal Cancer 1 2 Completed Treatment Disseminated Neuroblastoma (NB) / Recurrent Neuroblastoma 1 2 Completed Treatment Non-Small Cell Lung Cancer (NSCLC) 1 2 Completed Treatment Renal Cell Carcinoma (RCC) 1 1 Completed Treatment Central Nervous System Neoplasm / Extragonadal Germ Cell Tumor / Liver Cancer / Neuroblastoma (NB) / Ovarian Cancer / Pediatric Germ Cell Tumor / Renal Cancer / Sarcomas / Unspecified Childhood Solid Tumor, Protocol Specific 1 1 Completed Treatment Hematological Malignancy 1 1, 2 Completed Treatment Malignant Lung Neoplasm / Non-Small Cell Lung Cancer (NSCLC) 1 1, 2 Terminated Treatment Acute Lymphoblastic Leukemia (ALL) / Pediatric Acute Lymphoblastic Leukemia, Relapsed / Recurrent Pediatric ALL / Refractory Pediatric ALL 1 1, 2 Terminated Treatment Malignant Lung Neoplasm / Non-Small Cell Lung Cancer (NSCLC) 2
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 0.0323 mg/mL ALOGPS logP 3.4 ALOGPS logP 2.82 Chemaxon logS -4.1 ALOGPS pKa (Strongest Acidic) 7.21 Chemaxon pKa (Strongest Basic) 4.23 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 100.55 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 97.98 m3·mol-1 Chemaxon Polarizability 38.29 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No 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 20, 2016 21:44 / Updated at December 01, 2022 11:27