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SC 41930

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Data Packages
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Identification

Generic Name
SC 41930
DrugBank Accession Number
DB17101
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 484.589
Monoisotopic: 484.246103499
Chemical Formula
C28H36O7
Synonyms
  • (+/-)-7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-3,4-dihydro-8-propyl-2h-1-benzopyran-2-carboxylic acid
  • 2h-1-benzopyran-2-carboxylic acid, 7-(3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy)-3,4-dihydro-8-propyl-
  • 7-(3-(4-acetyl-3-methoxy-2-propyl-phenoxy)propoxyl-3,4-dihydro-8-propyl-2h-1-benzopyran-2-carboxylic acid
External IDs
  • CGS-24115
  • SC-41930
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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
TargetActionsOrganism
ALeukotriene B4 receptor 1
binder
Humans
ALeukotriene B4 receptor 2
inhibitor
Humans
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

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
EVH7O0422T
CAS number
120072-59-5
InChI Key
ZVVCSBSDFGYRCB-UHFFFAOYSA-N
InChI
InChI=1S/C28H36O7/c1-5-8-21-23(13-10-19-11-14-25(28(30)31)35-26(19)21)33-16-7-17-34-24-15-12-20(18(3)29)27(32-4)22(24)9-6-2/h10,12-13,15,25H,5-9,11,14,16-17H2,1-4H3,(H,30,31)
IUPAC Name
7-[3-(4-acetyl-3-methoxy-2-propylphenoxy)propoxy]-8-propyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
SMILES
CCCC1=C(OC)C(=CC=C1OCCCOC1=CC=C2CCC(OC2=C1CCC)C(O)=O)C(C)=O

References

General References
Not Available
Human Metabolome Database
HMDB0257533
ChemSpider
102927
BindingDB
50001610
ChEMBL
CHEMBL14823

Clinical Trials

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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 Solubility0.000812 mg/mLALOGPS
logP5.21ALOGPS
logP5.74Chemaxon
logS-5.8ALOGPS
pKa (Strongest Acidic)3.7Chemaxon
pKa (Strongest Basic)-4.3Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area91.29 Å2Chemaxon
Rotatable Bond Count13Chemaxon
Refractivity133.49 m3·mol-1Chemaxon
Polarizability53.8 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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

Targets

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Details1. Leukotriene B4 receptor 1
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Binder
General Function
Receptor for extracellular ATP > UTP and ADP. The activity of this receptor is mediated by G proteins which activate a phosphatidylinositol-calcium second messenger system. May be the cardiac P2Y receptor involved in the regulation of cardiac muscle contraction through modulation of L-type calcium currents. Is a receptor for leukotriene B4, a potent chemoattractant involved in inflammation and immune response
Specific Function
G protein-coupled peptide receptor activity
Gene Name
LTB4R
Uniprot ID
Q15722
Uniprot Name
Leukotriene B4 receptor 1
Molecular Weight
37556.925 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Details2. Leukotriene B4 receptor 2
Kind
Protein
Organism
Humans
Pharmacological action
Yes
Actions
Inhibitor
General Function
Low-affinity receptor for leukotrienes including leukotriene B4. Mediates chemotaxis of granulocytes and macrophages. The response is mediated via G-proteins that activate a phosphatidylinositol-calcium second messenger system. The rank order of affinities for the leukotrienes is LTB4 > 12-epi-LTB4 > LTB5 > LTB3
Specific Function
G protein-coupled peptide receptor activity
Gene Name
LTB4R2
Uniprot ID
Q9NPC1
Uniprot Name
Leukotriene B4 receptor 2
Molecular Weight
37941.175 Da
References
  1. Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]

Drug created at November 14, 2022 21:12 / Updated at August 27, 2024 19:17