Details of the Drug

General Information of Drug (ID: DMMYTRU)

Drug Name
RQ-00000007 (oral)
Synonyms CJ-023423; RQ-00000007 (iv); MR-10-A-7
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 491.6
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
ADMET Property
Clearance
The clearance of drug is 173.2 mL/h [2]
Elimination
From the excreted dose, 55%, 15% and 19% of the administered dose is excreted in bile, urine, and feces respectively []
Half-life
The concentration or amount of drug in body reduced by one-half in 5.86 hours [3]
Vd
The volume of distribution (Vd) of drug is 0.918 L/kg [2]
Chemical Identifiers
Formula
C26H29N5O3S
IUPAC Name
1-[2-[4-(2-ethyl-4,6-dimethylimidazo[4,5-c]pyridin-1-yl)phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
Canonical SMILES
CCC1=NC2=C(N1C3=CC=C(C=C3)CCNC(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C=C(N=C2C)C
InChI
InChI=1S/C26H29N5O3S/c1-5-24-29-25-19(4)28-18(3)16-23(25)31(24)21-10-8-20(9-11-21)14-15-27-26(32)30-35(33,34)22-12-6-17(2)7-13-22/h6-13,16H,5,14-15H2,1-4H3,(H2,27,30,32)
InChIKey
HZVLFTCYCLXTGV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11677589
CAS Number
415903-37-6
DrugBank ID
DB12836
TTD ID
D00IQH
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Prostaglandin E2 receptor EP4 (PTGER4) TT79WV3 PE2R4_HUMAN Antagonist [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pain
ICD Disease Classification MG30-MG3Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Prostaglandin E2 receptor EP4 (PTGER4) DTT PTGER4 5.27E-01 -0.05 -0.1
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5858).
2 Lebkowska-Wieruszewska B, De Vito V, Owen H, Poapholatep A, Giorgi M: Pharmacokinetics of grapiprant, a selective EP4 prostaglandin PGE2 receptor antagonist, after 2 mg/kg oral and i.v. administrations in cats. J Vet Pharmacol Ther. 2017 Dec;40(6):e11-e15. doi: 10.1111/jvp.12414. Epub 2017 Apr 29.
3 Detection and pharmacokinetics of grapiprant following oral administration to exercised Thoroughbred horses. Drug Test Anal. 2018 Mar 25. doi: 10.1002/dta.2378.
4 Clinical pipeline report, company report or official report of Avarx.