Details of the Drug

General Information of Drug (ID: DMUPEJK)

• Drug Name: D-4418
• Synonyms: UNII-24A61J8R9E; D-4418; 257892-34-5; 24A61J8R9E; SCHEMBL450642; 5-Quinolinecarboxamide, N-(2,5-dichloro-3-pyridinyl)-8-methoxy-

Indication

Disease Entry	ICD 11	Status	REF
Cutaneous T-cell lymphoma	2B01	Discontinued in Phase 1	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 348.2
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C16H11Cl2N3O2
  IUPAC Name: N-(2,5-dichloropyridin-3-yl)-8-methoxyquinoline-5-carboxamide
  Canonical SMILES: COC1=C2C(=C(C=C1)C(=O)NC3=C(N=CC(=C3)Cl)Cl)C=CC=N2
  InChI: InChI=1S/C16H11Cl2N3O2/c1-23-13-5-4-11(10-3-2-6-19-14(10)13)16(22)21-12-7-9(17)8-20-15(12)18/h2-8H,1H3,(H,21,22)
  InChIKey: FSDOTMQXIKBFKJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9928260
  CAS Number: 257892-34-5
  TTD ID: D0K1OA

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: Cutaneous T-cell lymphoma
• ICD Disease Classification: 2B01

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 800007757)
• [2] Can the anti-inflammatory potential of PDE4 inhibitors be realized: guarded optimism or wishful thinking. Br J Pharmacol. 2008 Oct;155(3):288-90.