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

Identification

Generic Name
TOP-1288
DrugBank Accession Number
DB14839
Background

TOP-1288 is under investigation in clinical trial NCT02888379 (Phase 2a Study to Evaluate the Safety/Tolerability and Efficacy of TOP1288 200 mg Rectal Solution Once Daily for 4 Weeks in Ulcerative Colitis).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 839.97
Monoisotopic: 839.33124736
Chemical Formula
C43H49N7O9S
Synonyms
Not Available
External IDs
  • TOP1288

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug events
Improve clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events & improve clinical decision support.
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
Learn more
Improve decision support & research outcomes with our structured adverse effects data.
Learn more
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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
19ZTZ9YC4O
CAS number
1630202-02-6
InChI Key
FWXVGKSWZJEPQI-UHFFFAOYSA-N
InChI
InChI=1S/C43H49N7O9S/c1-8-28-23-29(40(51)44-17-18-57-21-22-58-20-19-55-5)25-31(24-28)46-41-45-16-15-38(49-41)59-37-14-13-34(32-11-9-10-12-33(32)37)47-42(52)48-35-26-30(43(2,3)4)27-36(39(35)56-6)50-60(7,53)54/h1,9-16,23-27,50H,17-22H2,2-7H3,(H,44,51)(H,45,46,49)(H2,47,48,52)
IUPAC Name
3-({4-[(4-{[(5-tert-butyl-3-methanesulfonamido-2-methoxyphenyl)carbamoyl]amino}naphthalen-1-yl)oxy]pyrimidin-2-yl}amino)-5-ethynyl-N-{2-[2-(2-methoxyethoxy)ethoxy]ethyl}benzamide
SMILES
COCCOCCOCCNC(=O)C1=CC(=CC(NC2=NC=CC(OC3=C4C=CC=CC4=C(NC(=O)NC4=CC(=CC(NS(C)(=O)=O)=C4OC)C(C)(C)C)C=C3)=N2)=C1)C#C

References

General References
Not Available
ChemSpider
58930201
BindingDB
142019
ChEMBL
CHEMBL3681949
ZINC
ZINC000169711318

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentUlcerative Colitis1
1CompletedTreatmentUlcerative Colitis2

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 Solubility0.00153 mg/mLALOGPS
logP5.4ALOGPS
logP5.24ChemAxon
logS-5.7ALOGPS
pKa (Strongest Acidic)7.59ChemAxon
pKa (Strongest Basic)2.05ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area200.36 Å2ChemAxon
Rotatable Bond Count19ChemAxon
Refractivity228.24 m3·mol-1ChemAxon
Polarizability90.55 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 14:29 / Updated at June 12, 2020 16:53