Details of the Drug

General Information of Drug (ID: DM5Z34K)

• Drug Name: UCB-35440
• Synonyms: 5-[4-(N-Carbamoyl-N-hydroxyamino)-1-butynyl]-2-[2-[4-[1(R)-(4-chlorophenyl)-1-phenylmethyl]piperazin-1-yl]ethoxy]benzamide

Indication

Disease Entry	ICD 11	Status	REF
Rhinitis	FA20	Phase 2	[1]

• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 576.1
  Logarithm of the Partition Coefficient (xlogp); 3.5
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C31H34ClN5O4
  IUPAC Name: 5-[4-[carbamoyl(hydroxy)amino]but-1-ynyl]-2-[2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]benzamide
  Canonical SMILES: C1CN(CCN1CCOC2=C(C=C(C=C2)C#CCCN(C(=O)N)O)C(=O)N)[C@H](C3=CC=CC=C3)C4=CC=C(C=C4)Cl
  InChI: InChI=1S/C31H34ClN5O4/c32-26-12-10-25(11-13-26)29(24-7-2-1-3-8-24)36-18-16-35(17-19-36)20-21-41-28-14-9-23(22-27(28)30(33)38)6-4-5-15-37(40)31(34)39/h1-3,7-14,22,29,40H,5,15-21H2,(H2,33,38)(H2,34,39)/t29-/m1/s1
  InChIKey: KHVLZYHEWIBDOU-GDLZYMKVSA-N
• Cross-matching ID:
  PubChem CID: 9894415
  CAS Number: 299460-62-1
  TTD ID: D04JIM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Arachidonate 5-lipoxygenase (5-LOX)	TT2J34L	LOX5_HUMAN	Modulator	[2]
Histamine H1 receptor (H1R)	TTTIBOJ	HRH1_HUMAN	Modulator	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Rhinitis
• ICD Disease Classification: FA20

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Histamine H1 receptor (H1R)	DTT	HRH1	6.74E-01	0.13	0.43

References

• [1] Clinical pipeline report, company report or official report of UCB.
• [2] The effect of a novel, dual function histamine H1 receptor antagonist/5-lipoxygenase enzyme inhibitor on in vivo dermal inflammation and extravasat... Eur J Pharmacol. 2005 Jan 4;506(3):265-71.