SB-649868

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

Identification

Generic Name
SB-649868
DrugBank Accession Number
DB14822
Background

SB-649868 is under investigation in clinical trial NCT01030939 (Study to Investigate Safety, Tolerability, Pharmacokinetics and Cardiac Function After Repeat Doses of SB-649868 in Healthy-volunteers).

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 477.55
Monoisotopic: 477.152240982
Chemical Formula
C26H24FN3O3S
Synonyms
Not Available

Pharmacology

Indication

Not Available

Pharmacology
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Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
1L1V1K2M4V
CAS number
380899-24-1
InChI Key
ZJXIUGNEAIHSBI-IBGZPJMESA-N
InChI
InChI=1S/C26H24FN3O3S/c1-16-29-23(24(34-16)17-8-10-18(27)11-9-17)26(32)30-13-3-2-5-19(30)15-28-25(31)21-6-4-7-22-20(21)12-14-33-22/h4,6-12,14,19H,2-3,5,13,15H2,1H3,(H,28,31)/t19-/m0/s1
IUPAC Name
N-{[(2S)-1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]piperidin-2-yl]methyl}-1-benzofuran-4-carboxamide
SMILES
CC1=NC(C(=O)N2CCCC[C@H]2CNC(=O)C2=CC=CC3=C2C=CO3)=C(S1)C1=CC=C(F)C=C1

References

General References
Not Available
ChemSpider
25069706
BindingDB
50417257
ChEMBL
CHEMBL1272307
Wikipedia
SB-649868

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentSleep Initiation and Maintenance Disorders1
1CompletedTreatmentSleep disorders and disturbances1
1CompletedTreatmentSleep Initiation and Maintenance Disorders3
1WithdrawnTreatmentInsomnia1

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 Solubility0.0117 mg/mLALOGPS
logP4.64ALOGPS
logP4.17ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)15ChemAxon
pKa (Strongest Basic)0.45ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area75.44 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity128.06 m3·mol-1ChemAxon
Polarizability49.12 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

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