Details of the Drug

General Information of Drug (ID: DMMUYC2)

• Drug Name: YM-344031

Indication

Disease Entry	ICD 11	Status	REF
Asthma	CA23	Preclinical	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 502.6
  Logarithm of the Partition Coefficient (xlogp); 2.8
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C29H31FN4O3
  IUPAC Name: N-[1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(3-methyl-1-oxidopyridin-1-ium-2-carbonyl)piperidin-4-ylidene]acetamide
  Canonical SMILES: CC1=C([N+](=CC=C1)[O-])C(=O)N2CCC(=CC(=O)NC3CCN(C3)CC4=CC5=C(C=C4)C=C(C=C5)F)CC2
  InChI: InChI=1S/C29H31FN4O3/c1-20-3-2-11-34(37)28(20)29(36)33-13-8-21(9-14-33)16-27(35)31-26-10-12-32(19-26)18-22-4-5-24-17-25(30)7-6-23(24)15-22/h2-7,11,15-17,26H,8-10,12-14,18-19H2,1H3,(H,31,35)
  InChIKey: AINQBHMFEKHERT-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 56603737
  TTD ID: D04EIL

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
C-C chemokine receptor type 3 (CCR3)	TTD3XFU	CCR3_HUMAN	Antagonist	[1]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 12 Disease of the respiratory system
• Disease Class: ICD-11: CA23 Asthma
• The Studied Tissue: Nasal and bronchial airway
• The Studied Disease: Asthma [ICD-11:CA23]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
C-C chemokine receptor type 3 (CCR3)	DTT	CCR3	2.97E-06	-0.44	-0.48

References

• [1] Emerging drugs for asthma. Expert Opin Emerg Drugs. 2008 Dec;13(4):643-53.