Details of the Drug

General Information of Drug (ID: DM1HAWR)

Drug Name
6-(4-Methyl-piperazin-1-yl)-phenanthridine
Synonyms
CHEMBL43193; 23441-13-6; 6-(4-methylpiperazin-1-yl)phenanthridine; 6-(4-Methyl-piperazin-1-yl)-phenanthridine; CTK0I7937; DTXSID50433889; ZINC13778637; BDBM50063258; 6-(4-Methylpiperazino)phenanthridine; Phenanthridine, 6-(4-methyl-1-piperazinyl)-
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) 277.4
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H19N3
IUPAC Name
6-(4-methylpiperazin-1-yl)phenanthridine
Canonical SMILES
CN1CCN(CC1)C2=NC3=CC=CC=C3C4=CC=CC=C42
InChI
InChI=1S/C18H19N3/c1-20-10-12-21(13-11-20)18-16-8-3-2-6-14(16)15-7-4-5-9-17(15)19-18/h2-9H,10-13H2,1H3
InChIKey
ZVJIBTNUNUXAIO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9993659
CAS Number
23441-13-6
TTD ID
D04AXY

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 3A receptor (HTR3A) TTPC4TU 5HT3A_HUMAN Inhibitor [1]
5-HT 3B receptor (HTR3B) TTR6K75 5HT3B_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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 3B receptor (HTR3B) DTT HTR3B 3.82E-01 0.04 0.1
5-HT 3A receptor (HTR3A) DTT HTR3A 6.60E-01 1.08E-02 0.04
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel potent and selective central 5-HT3 receptor ligands provided with different intrinsic efficacy. 2. Molecular basis of the intrinsic efficacy ... J Med Chem. 1999 May 6;42(9):1556-75.