NAV

TTI-101

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

Identification

Generic Name
TTI-101
DrugBank Accession Number
DB17578
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 471.53
Monoisotopic: 471.114043954
Chemical Formula
C27H21NO5S
Synonyms
  • Benzenesulfonamide, n-(1',2-dihydroxy(1,2'-binaphthalen)-4'-yl)-4-methoxy-
  • Stat3 inhibitor c188-9
  • Stat3 inhibitor tti-101
External IDs
  • C-188-9
  • TTI 101
  • TTI-101
  • TTI101
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
KZ3DLD11RQ
CAS number
432001-19-9
InChI Key
QDCJDYWGYVPBDO-UHFFFAOYSA-N
InChI
InChI=1S/C27H21NO5S/c1-33-18-11-13-19(14-12-18)34(31,32)28-24-16-23(27(30)22-9-5-4-8-21(22)24)26-20-7-3-2-6-17(20)10-15-25(26)29/h2-16,28-30H,1H3
IUPAC Name
N-{1',2-dihydroxy-[1,2'-binaphthalen]-4'-yl}-4-methoxybenzene-1-sulfonamide
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC1=CC(=C(O)C2=CC=CC=C12)C1=C(O)C=CC2=CC=CC=C12

References

General References
Not Available
ChemSpider
1110046
ChEMBL
CHEMBL3392776
ZINC
ZINC000001154831

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentIdiopathic Pulmonary Fibrosis (IPF)1
1Active Not RecruitingTreatmentAdvanced Malignant Neoplasm / Breast Cancer / Colorectal Cancer / Gastric Adenocarcinoma / Liver Cancer / Melanoma / Non-Small Cell Lung Cancer (NSCLC) / Squamous Cell Carcinoma of the Head and Neck (SCCHN)1
1, 2Not Yet RecruitingTreatmentSquamous Cell Carcinoma of the Head and Neck (SCCHN)1
1, 2RecruitingTreatmentBreast Cancer1
1, 2RecruitingTreatmentHepatocellular Carcinoma1

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
logP5.32Chemaxon
pKa (Strongest Acidic)7.85Chemaxon
pKa (Strongest Basic)-4.8Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area95.86 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity131.35 m3·mol-1Chemaxon
Polarizability48.21 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at March 03, 2023 00:29 / Updated at September 15, 2023 10:38