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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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).