Details of the Drug

General Information of Drug (ID: DMOJ4TG)

• Drug Name: UCM-5600
• Synonyms: UCM-5600; CHEMBL12259; BDBM50240359; 1-[5-(4-Phenylpiperazino)pentyl]-1,2-dihydrobenzo[cd]indole-2-one; 1-(5-(4-phenylpiperazin-1-yl)pentyl)benzo[cd]indol-2(1H)-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 399.5
  Logarithm of the Partition Coefficient (xlogp); 5
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C26H29N3O
  IUPAC Name: 1-[5-(4-phenylpiperazin-1-yl)pentyl]benzo[cd]indol-2-one
  Canonical SMILES: C1CN(CCN1CCCCCN2C3=CC=CC4=C3C(=CC=C4)C2=O)C5=CC=CC=C5
  InChI: InChI=1S/C26H29N3O/c30-26-23-13-7-9-21-10-8-14-24(25(21)23)29(26)16-6-2-5-15-27-17-19-28(20-18-27)22-11-3-1-4-12-22/h1,3-4,7-14H,2,5-6,15-20H2
  InChIKey: UPZHUDFDXXFEKG-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 9843889
  TTD ID: D07JTZ

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 7 receptor (HTR7)	TTO9X1H	5HT7R_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 7 receptor (HTR7)	DTT	HTR7	9.79E-01	-0.08	-0.32

References

• [1] Synthesis of new serotonin 5-HT7 receptor ligands. Determinants of 5-HT7/5-HT1A receptor selectivity. J Med Chem. 2009 Apr 23;52(8):2384-92.