Details of the Drug

General Information of Drug (ID: DME4D7H)

• Drug Name: HM71224
• Synonyms: Poseltinib; 1353552-97-2; UNII-D01E4B1U35; D01E4B1U35; LY3337641; N-(3-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)furo[3,2-d]pyrimidin-4-yl)oxy)phenyl)acrylamide; Poseltinib [INN]; GTPL9862; CHEMBL4163691; SCHEMBL14915064; BDBM50369724; BS-15248; HM-71224; LY333764; Example 228 [WO2011162515A2]; HY-109010; CS-0030508; Q27275916; 2-Propenamide, N-(3-((2-((4-(4-methyl-1-piperazinyl)phenyl)amino)furo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-; N-(3-((2-(4-(4-Methylpiperazin-1-yl)anilino)furo(3,2-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamide; N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

Indication

Disease Entry	ICD 11	Status	REF
Rheumatoid arthritis	FA20	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 470.5
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C26H26N6O3
  IUPAC Name: N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
  Canonical SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)OC=C4
  InChI: InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)
  InChIKey: LZMJNVRJMFMYQS-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56644522
  CAS Number: 1353552-97-2
  TTD ID: DTF20P

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosine-protein kinase BTK (ATK)	TTGM6VW	BTK_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 15 Disease of the musculoskeletal system/connective tissue
• Disease Class: ICD-11: FA20 Rheumatoid arthritis
• The Studied Tissue: Synovial tissue
• The Studied Disease: Rheumatoid arthritis [ICD-11:FA20]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Tyrosine-protein kinase BTK (ATK)	DTT	BTK	3.54E-01	0.24	0.56

References

• [1] ClinicalTrials.gov (NCT01765478) Safety,PK/PD, Food Effect Study of Orally Administered HM71224 in Healthy Adult Male Volunteers. U.S. National Institutes of Health.
• [2] HM71224, a selective Bruton's tyrosine kinase inhibitor, attenuates the development of murine lupus. Arthritis Res Ther. 2017 Sep 26;19(1):211.