Details of the Drug

General Information of Drug (ID: DM82KWY)

• Drug Name: Ronomilast
• Synonyms: ELB-353; PDE4 inhibitor, BioTie; PDE4 inhibitor, elbion; AWD-12-353

Indication

Disease Entry	ICD 11	Status	REF
Chronic obstructive pulmonary disease	CA22	Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 443.3
  Logarithm of the Partition Coefficient (xlogp); 3.9
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C21H13Cl2FN4O2
  IUPAC Name: N-(3,5-dichloropyridin-4-yl)-2-[1-[(4-fluorophenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]-2-oxoacetamide
  Canonical SMILES: C1=CC2=C(N=C1)N(C=C2C(=O)C(=O)NC3=C(C=NC=C3Cl)Cl)CC4=CC=C(C=C4)F
  InChI: InChI=1S/C21H13Cl2FN4O2/c22-16-8-25-9-17(23)18(16)27-21(30)19(29)15-11-28(20-14(15)2-1-7-26-20)10-12-3-5-13(24)6-4-12/h1-9,11H,10H2,(H,25,27,30)
  InChIKey: JERXUPDBWDWFCF-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9803446
  CAS Number: 418794-42-0
  TTD ID: D0O8JW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Phosphodiesterase 4A (PDE4A)	TTZ97H5	PDE4A_HUMAN	Inhibitor	[2]
Phosphodiesterase 4B (PDE4B)	TTVIAT9	PDE4B_HUMAN	Inhibitor	[2]
Phosphodiesterase 4D (PDE4D)	TTSKMI8	PDE4D_HUMAN	Inhibitor	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Chronic obstructive pulmonary disease
• ICD Disease Classification: CA22

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Phosphodiesterase 4A (PDE4A)	DTT	PDE4A	9.26E-01	-3.01E-03	-0.01
Phosphodiesterase 4B (PDE4B)	DTT	PDE4B	2.75E-01	-0.13	-0.3

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013990)
• [2] Clinical pipeline report, company report or official report of Avarx.