ramatroban 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
thromboxane A2-receptor antagonists; antithrombotic agents 2354 116649-85-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ramatroban
  • baynas
thromboxane A2 receptor antagonist; BAY u 3405 & 3406 are enantiomers of each other
  • Molecular weight: 416.47
  • Formula: C21H21FN2O4S
  • CLOGP: 3.97
  • LIPINSKI: 0
  • HAC: 6
  • HDO: 2
  • TPSA: 88.40
  • ALOGS: -4.26
  • ROTB: 5

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 0.418 High 1
caco2-efflux Caco-2 efflux ratio (BA/AB) 5.728 High 1
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 12.942 10^-6 cm/s High 1
dh-clint Dog hepatocyte intrinsic clearance 4.677 uL/min/10^6 cells High 1
dppb Dog plasma protein binding (% unbound) 3.790 % High 1
fcs-ppb Fetal calf serum protein binding (% unbound) 6.440 % High 1
herg hERG pIC50 4.536 pIC50 High 1
hh-clint Human hepatocyte intrinsic clearance 6.516 uL/min/10^6 cells High 1
hlm-clint Human liver microsomal intrinsic clearance 5.458 uL/min/mg protein High 1
hppb Human plasma protein binding (% unbound) 2.930 % High 1
kinase-safety-class ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAPK7,MAPKAPK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PRKDC,TEK,TGFBR1 23
kinase-selectivity-class AXL,GRK2,TEK 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 4.764 High 1
mh-clint Mouse hepatocyte intrinsic clearance 22.284 High 1
mppb Mouse plasma protein binding (% unbound) 5.090 High 1
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 7.161 High 1
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 6.840 % High 1
rh-clint Rat hepatocyte intrinsic clearance 21.429 uL/min/10^6 cells High 1
rh-fuinc Rat hepatocyte fraction unbound in incubation 66.870 % High 1
rppb Rat plasma protein binding (% unbound) 3.080 % High 1
solubility-dd Solubility at pH 7.4 in DMSO 935.406 uM High 1

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

FDA Adverse Event Reporting System (Geriatric)

None

FDA Adverse Event Reporting System (Pediatric)

None

Pharmacologic Action:

SourceCodeDescription
MeSH PA D006401 Hematologic Agents
MeSH PA D010975 Platelet Aggregation Inhibitors
CHEBI has role CHEBI:22587 antiviral agent
CHEBI has role CHEBI:65023 anti-asthmatic agent

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Allergic rhinitis indication 61582004




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.2 acidic
pKa2 9.56 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Thromboxane A2 receptor GPCR INVERSE AGONIST Ki 9.24 CHEMBL KEGG DRUG
Prostaglandin D2 receptor 2 GPCR Ki 8.37 CHEMBL
Prostaglandin D2 receptor GPCR Ki 4.96 CHEMBL
Prostaglandin D2 receptor 2 GPCR ANTAGONIST IC50 7.30 IUPHAR
Prostaglandin D2 receptor 2 GPCR ANTAGONIST Ki 7.30 IUPHAR

External reference:

IDSource
D01128 KEGG_DRUG
C0753318 UMLSCUI
CHEBI:32087 CHEBI
A8X PDB_CHEM_ID
CHEMBL361812 ChEMBL_ID
DB13036 DRUGBANK_ID
C063119 MESH_SUPPLEMENTAL_RECORD_UI
123879 PUBCHEM_CID
1911 IUPHAR_LIGAND_ID
7273 INN_ID
P1ALI72U6C UNII
P1ALI72U6C INXIGHT DRUGS

Pharmaceutical products:

None