Details of the Drug

General Information of Drug (ID: DM54A3W)

Drug Name
4-methoxy-9-aminomethyl-9,10-dihydroanthracene
Synonyms CHEMBL454491; 4-methoxy-9-aminomethyl-9,10-dihydroanthracene; BDBM50264950
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) 239.31
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H17NO
IUPAC Name
(4-methoxy-9,10-dihydroanthracen-9-yl)methanamine
Canonical SMILES
COC1=CC=CC2=C1CC3=CC=CC=C3C2CN
InChI
InChI=1S/C16H17NO/c1-18-16-8-4-7-13-14(16)9-11-5-2-3-6-12(11)15(13)10-17/h2-8,15H,9-10,17H2,1H3
InChIKey
ZJILWLYMMRQWLR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44580318
TTD ID
D05ULV

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 Methoxy-substituted 9-aminomethyl-9,10-dihydroanthracene (AMDA) derivatives exhibit differential binding affinities at the 5-HT(2A) receptor. Bioorg Med Chem Lett. 2008 Oct 1;18(19):5268-71.