Details of the Drug

General Information of Drug (ID: DM4O07Q)

• Drug Name: RWJ-68023
• Synonyms: Motilin receptor antagonists, RW Johnson

Indication

Disease Entry	ICD 11	Status	REF
Irritable bowel syndrome	DD91.0	Phase 1	[1]

• #Ro5 Violations (Lipinski): 3:
  Molecular Weight (mw); 672
  Logarithm of the Partition Coefficient (xlogp); 5.7
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C34H37Cl3N4O4
  IUPAC Name: N-[(1R)-1-benzyl-3-[[3-(2-morpholin-4-ylethoxy)-N-(phenylcarbamoyl)anilino]methyl]cyclopent-2-en-1-yl]-2,2,2-trichloroacetamide
  Canonical SMILES: C1C[C@](C=C1CN(C2=CC(=CC=C2)OCCN3CCOCC3)C(=O)NC4=CC=CC=C4)(CC5=CC=CC=C5)NC(=O)C(Cl)(Cl)Cl
  InChI: InChI=1S/C34H37Cl3N4O4/c35-34(36,37)31(42)39-33(23-26-8-3-1-4-9-26)15-14-27(24-33)25-41(32(43)38-28-10-5-2-6-11-28)29-12-7-13-30(22-29)45-21-18-40-16-19-44-20-17-40/h1-13,22,24H,14-21,23,25H2,(H,38,43)(H,39,42)/t33-/m1/s1
  InChIKey: DPBURRXPRULCQN-MGBGTMOVSA-N
• Cross-matching ID:
  PubChem CID: 9809991
  TTD ID: D04UPW

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Motilin receptor (MLNR)	TT953CX	MTLR_HUMAN	Antagonist	[2]

Molecular Expression Atlas of This Drug

• ICD Disease Classification: 13 Disease of the digestive system
• Disease Class: ICD-11: DD91 Irritable bowel syndrome
• The Studied Tissue: Rectal colon tissue
• The Studied Disease: Irritable bowel syndrome [ICD-11:DD91.0]

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Motilin receptor (MLNR)	DTT	MLNR	6.35E-02	-0.06	-0.27

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 800021456)
• [2] Effects of a nonpeptide motilin receptor antagonist on proximal gastric motor function. Br J Clin Pharmacol. 2004 Apr;57(4):393-401.