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

Topological Polar Surface Area (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

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)

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).
3	2008 FDA drug approvals. Nat Rev Drug Discov. 2009 Feb;8(2):93-6.
4	2018 FDA drug approvals.Nat Rev Drug Discov. 2019 Feb;18(2):85-89.
5	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. (Target id: 1722).
6	A novel nonpeptidyl human c-Mpl activator stimulates human megakaryopoiesis and thrombopoiesis. Blood. 2006 Jun 1;107(11):4300-7.
7	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.