NAV

ABT-751

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
3D
Similar Structures
Weight
Average: 371.41
Monoisotopic: 371.093976737
Chemical Formula
C18H17N3O4S
Synonyms
  • N-[2-(4-hydroxyanilino)-3-pyridinyl]-4-methoxybenzenesulfonamide
  • N-[2-(4-hydroxyanilino)pyridin-3-yl]-4-methoxybenzenesulfonamide
  • N-[2-[(4-hydroxyphenyl)amino]-3-pyridinyl]-4-methoxybenzenesulfonamide
External IDs
  • ABT-751
  • E 7010
  • E-7010
  • NSC-742134
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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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
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 Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBreast Cancer1
2CompletedTreatmentColorectal Cancer1
2CompletedTreatmentDisseminated Neuroblastoma (NB) / Recurrent Neuroblastoma1
2CompletedTreatmentNon-Small Cell Lung Cancer (NSCLC)1
2CompletedTreatmentRenal Cell Carcinoma (RCC)1

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 Solubility0.0323 mg/mLALOGPS
logP3.4ALOGPS
logP2.82Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)7.21Chemaxon
pKa (Strongest Basic)4.23Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area100.55 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity97.98 m3·mol-1Chemaxon
Polarizability38.29 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-00di-0109000000-d1890f2f09e4a827b881
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0009000000-8d2f145e1d8dd884cd15
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-0509000000-e8e2d405c0af2b5c0dd3
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0109000000-edaad9b40c40c1998d40
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pi0-1935000000-ed320f995a328372229f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-2559000000-dc81e7241d5f6f76c1ee
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-183.53615
predicted
DeepCCS 1.0 (2019)
[M+H]+185.89415
predicted
DeepCCS 1.0 (2019)
[M+Na]+192.68086
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:44 / Updated at July 18, 2023 22:57