NAV

SB 224289

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

Identification

Generic Name
SB 224289
DrugBank Accession Number
DB17052
Background

SB-224289 is a small molecule with a high affinity for human 5-HT1B receptors.1

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 520.633
Monoisotopic: 520.247440906
Chemical Formula
C32H32N4O3
Synonyms
  • (1'-methyl-6,7-dihydro-5h-spiro(furo(2,3-f)indole-3,4'-piperidin)-5-yl)(2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl)methanone
  • (2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-(1,1'-biphenyl)-4-yl)(1'-methyl-6,7-dihydrospiro(furo(2,3-f)indole-3,4'-piperidin)-5(2h)-yl)methanone
  • (4-(2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl)phenyl)-(1'-methylspiro(6,7-dihydro-2h-furo(2,3-f)indole-3,4'-piperidine)-5-yl)methanone
  • 6,7-dihydro-1'-methyl-5-((2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-1,1'-biphenyl-4-yl)carbonyl)spiro(2h-furo(2,3-f)indole-3(5h),4'-piperidine)
  • Methanone, (2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-yl)(2,5,6,7-tetrahydro-1'-methylspiro(3h-furo(2,3-f)indole-3,4'-piperidin)-5-yl)-
  • Spiro(2h-furo(2,3-f)indole-3(5h),4'-piperidine), 6,7-dihydro-1'-methyl-5-((2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)(1,1'-biphenyl)-4-yl)carbonyl)-
External IDs
  • J854.001B
  • SB 224289
  • SB-224289
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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
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

Products

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Product Ingredients
IngredientUNIICASInChI Key
SB 224289 hydrochlorideRTX59ZSB74180084-26-8Not applicable

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
F95C648W4N
CAS number
180083-23-2
InChI Key
ATQMRMGXINTJHV-UHFFFAOYSA-N
InChI
InChI=1S/C32H32N4O3/c1-20-16-25(30-33-21(2)39-34-30)8-9-26(20)22-4-6-23(7-5-22)31(37)36-13-10-24-17-29-27(18-28(24)36)32(19-38-29)11-14-35(3)15-12-32/h4-9,16-18H,10-15,19H2,1-3H3
IUPAC Name
1'-methyl-5-[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)-[1,1'-biphenyl]-4-carbonyl]-2,5,6,7-tetrahydrospiro[furo[2,3-f]indole-3,4'-piperidine]
SMILES
CN1CCC2(COC3=CC4=C(C=C23)N(CC4)C(=O)C2=CC=C(C=C2)C2=C(C)C=C(C=C2)C2=NOC(C)=N2)CC1

References

General References
  1. Selkirk JV, Scott C, Ho M, Burton MJ, Watson J, Gaster LM, Collin L, Jones BJ, Middlemiss DN, Price GW: SB-224289--a novel selective (human) 5-HT1B receptor antagonist with negative intrinsic activity. Br J Pharmacol. 1998 Sep;125(1):202-8. doi: 10.1038/sj.bjp.0702059. [Article]
ChemSpider
2623391
BindingDB
50084959
ChEBI
64069
ChEMBL
CHEMBL281350
ZINC
ZINC000001485772

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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 Solubility0.0367 mg/mLALOGPS
logP4.9ALOGPS
logP5.34Chemaxon
logS-4.2ALOGPS
pKa (Strongest Basic)8.82Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area71.7 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity163.83 m3·mol-1Chemaxon
Polarizability60.94 Å3Chemaxon
Number of Rings7Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 18:42 / Updated at December 13, 2022 10:46