Details of the Drug

General Information of Drug (ID: DM6SUDC)

Drug Name
Totrombopag
Synonyms
Totrombopag; SB-559448; 376592-42-6; Totrombopag [INN]; 5-(3'-((2Z)-2-(1-(3,4-Dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino)-2'-hydroxybiphenyl-3-yl)tetrazol-1-ide; 1H-Pyrazole-4,5-dione,1-(3,4-dimethylphenyl)-3-methyl-,4-((2-hydroxy-3'-(1h-tetrazol-5-yl)(1,1'-biphenyl)-3-yl)hydrazone), ion(1-), (4Z)-
Indication
Disease Entry ICD 11 Status REF
Thrombocytopenia 3B64 Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 466.5
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C25H22N8O2
IUPAC Name
2-(3,4-dimethylphenyl)-4-[[2-hydroxy-3-[3-(2H-tetrazol-5-yl)phenyl]phenyl]diazenyl]-5-methyl-4H-pyrazol-3-one
Canonical SMILES
CC1=C(C=C(C=C1)N2C(=O)C(C(=N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C5=NNN=N5)C
InChI
InChI=1S/C25H22N8O2/c1-14-10-11-19(12-15(14)2)33-25(35)22(16(3)30-33)27-26-21-9-5-8-20(23(21)34)17-6-4-7-18(13-17)24-28-31-32-29-24/h4-13,22,34H,1-3H3,(H,28,29,31,32)
InChIKey
KWJKFQSAMABKBG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135871124
UNII
83D6475CAW
DrugBank ID
DB05930
TTD ID
D04TJP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Thrombopoietin receptor (MPL) TTIHYA4 TPOR_HUMAN Agonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

ICD Disease Classification 03 Disease of the blood or blood-forming organs
Disease Class ICD-11: 3B64 Thrombocytopenia
The Studied Tissue Whole blood
The Studied Disease Thrombocytopenia [ICD-11:3B64]
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Thrombopoietin receptor (MPL) DTT MPL 8.96E-01 0.07 0.28
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Emerging drugs for idiopathic thrombocytopenic purpura in adults. Expert Opin Emerg Drugs. 2008 Jun;13(2):237-54.
2 Clinical pipeline report, company report or official report of GlaxoSmithKline (2009).