Details of the Drug

General Information of Drug (ID: DM1SP36)

Drug Name
4-(10H-Anthracen-9-ylidene)-1-methyl-piperidine
Synonyms CHEMBL348459; 4-(10H-anthracen-9-ylidene)-1-methyl-piperidine; SCHEMBL13921290; BDBM50097218
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) 275.4
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C20H21N
IUPAC Name
4-(10H-anthracen-9-ylidene)-1-methylpiperidine
Canonical SMILES
CN1CCC(=C2C3=CC=CC=C3CC4=CC=CC=C42)CC1
InChI
InChI=1S/C20H21N/c1-21-12-10-15(11-13-21)20-18-8-4-2-6-16(18)14-17-7-3-5-9-19(17)20/h2-9H,10-14H2,1H3
InChIKey
ZOARGTMABFXNDY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10468648
TTD ID
D02SFJ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2A receptor (HTR2A) TTJQOD7 5HT2A_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 2A receptor (HTR2A) DTT HTR2A 1.68E-01 -0.3 -0.14
5-HT 2A receptor (HTR2A) DTT HTR2A 5.59E-01 0.15 0.21
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Exploring the relationship between binding modes of 9-(aminomethyl)-9,10-dihydroanthracene and cyproheptadine analogues at the 5-HT2A serotonin rec... Bioorg Med Chem Lett. 2001 Feb 26;11(4):563-6.