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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL12259
TTD ID
D07JTZ
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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]
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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
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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.