Details of the Drug

General Information of Drug (ID: DMTM1LK)

• Drug Name: YM-355179
• Synonyms: YM-355179; GTPL793; SCHEMBL3808393

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); 4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C29H31FN4O3
  IUPAC Name: N-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]-2-[1-(3-hydroxy-5-methylpyridine-2-carbonyl)piperidin-4-ylidene]acetamide
  Canonical SMILES: CC1=CC(=C(N=C1)C(=O)N2CCC(=CC(=O)N[C@@H]3CCN(C3)CC4=CC5=C(C=C4)C=C(C=C5)F)CC2)O
  InChI: InChI=1S/C29H31FN4O3/c1-19-12-26(35)28(31-16-19)29(37)34-10-6-20(7-11-34)14-27(36)32-25-8-9-33(18-25)17-21-2-3-23-15-24(30)5-4-22(23)13-21/h2-5,12-16,25,35H,6-11,17-18H2,1H3,(H,32,36)/t25-/m1/s1
  InChIKey: LHTPHICFHRATTG-RUZDIDTESA-N
• Cross-matching ID:
  PubChem CID: 11556309
  TTD ID: D0Y6TI

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	[2]

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] 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. (Ligand id: 793).
• [2] Emerging drugs for asthma. Expert Opin Emerg Drugs. 2008 Dec;13(4):643-53.