NAV

Ramatroban

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

Identification

Generic Name
Ramatroban
DrugBank Accession Number
DB13036
Background

Ramatroban has been used in trials studying the treatment of Asthma.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 416.47
Monoisotopic: 416.120606501
Chemical Formula
C21H21FN2O4S
Synonyms
  • Ramatroban
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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
UProstaglandin D2 receptor 2Not AvailableHumans
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.
DrugInteraction
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interactions in your software
AbciximabThe risk or severity of bleeding can be increased when Ramatroban is combined with Abciximab.
AbrocitinibThe risk or severity of bleeding and thrombocytopenia can be increased when Ramatroban is combined with Abrocitinib.
AceclofenacThe risk or severity of bleeding can be increased when Aceclofenac is combined with Ramatroban.
AcemetacinThe risk or severity of bleeding can be increased when Acemetacin is combined with Ramatroban.
AcenocoumarolThe risk or severity of bleeding can be increased when Ramatroban is combined with Acenocoumarol.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as carbazoles. These are compounds containing a three ring system containing a pyrrole ring fused on either side to a benzene ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Indoles and derivatives
Sub Class
Carbazoles
Direct Parent
Carbazoles
Alternative Parents
3-alkylindoles / Benzenesulfonamides / N-alkylindoles / Benzenesulfonyl compounds / Fluorobenzenes / Substituted pyrroles / Organosulfonamides / Aryl fluorides / Aminosulfonyl compounds / Heteroaromatic compounds
show 9 more
Substituents
3-alkylindole / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Azacycle / Benzenesulfonamide / Benzenesulfonyl group / Benzenoid / Carbazole
show 26 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
P1ALI72U6C
CAS number
116649-85-5
InChI Key
LDXDSHIEDAPSSA-OAHLLOKOSA-N
InChI
InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1
IUPAC Name
3-[(3R)-3-(4-fluorobenzenesulfonamido)-2,3,4,9-tetrahydro-1H-carbazol-9-yl]propanoic acid
SMILES
[H][C@]1(CCC2=C(C1)C1=CC=CC=C1N2CCC(O)=O)NS(=O)(=O)C1=CC=C(F)C=C1

References

General References
Not Available
PubChem Compound
123879
PubChem Substance
347829169
ChemSpider
110413
BindingDB
50161746
ChEBI
32087
ChEMBL
CHEMBL361812
ZINC
ZINC000003798772
PDBe Ligand
A8X
Wikipedia
Ramatroban
PDB Entries
6iiu

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2, 3RecruitingTreatmentCoronavirus Disease 2019 (COVID‑19) / COVID-19 Pneumonia / COVID-19 Respiratory Infection1
2, 3WithdrawnTreatmentAsthma1

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 Solubility0.0227 mg/mLALOGPS
logP2.3ALOGPS
logP3.3Chemaxon
logS-4.3ALOGPS
pKa (Strongest Acidic)4.39Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area88.4 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity107.08 m3·mol-1Chemaxon
Polarizability42.28 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0000900000-29191dec4a4bfb8266d8
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01b9-2806900000-1a37c63141abe0a312d3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00xv-0489700000-0e1d15dcd504254c748b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0904000000-8eb5563c93fe851327f9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-06dj-1912000000-e6fc73564cacda4abc02
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-000x-8914100000-ac9b8c7e8b619f99f79d
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-193.41441
predicted
DeepCCS 1.0 (2019)
[M+H]+195.7724
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.52483
predicted
DeepCCS 1.0 (2019)

Targets

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Details1. Prostaglandin D2 receptor 2
Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Prostaglandin j receptor activity
Specific Function
Receptor for prostaglandin D2 (PGD2). Coupled to the G(i)-protein. Receptor activation may result in pertussis toxin-sensitive decreases in cAMP levels and Ca(2+) mobilization. PI3K signaling is al...
Gene Name
PTGDR2
Uniprot ID
Q9Y5Y4
Uniprot Name
Prostaglandin D2 receptor 2
Molecular Weight
43267.15 Da
References
  1. Sugimoto H, Shichijo M, Okano M, Bacon KB: CRTH2-specific binding characteristics of [3H]ramatroban and its effects on PGD2-, 15-deoxy-Delta12, 14-PGJ2- and indomethacin-induced agonist responses. Eur J Pharmacol. 2005 Nov 7;524(1-3):30-7. Epub 2005 Oct 27. [Article]

Drug created at October 21, 2016 02:16 / Updated at February 21, 2021 18:54