Details of the Drug

General Information of Drug (ID: DMO2N56)

Drug Name
3-methoxy-9-aminomethyl-9,10-dihydroanthracene
Synonyms
3-METHOXY-9-AMINOMETHYL-9,10-DIHYDROANTHRACENE; CHEMBL83081; 1075741-20-6; DTXSID10648836; BDBM50131086; 3-Methoxy-9,10-dihydroanthracene-9-methanamine; 1-(3-Methoxy-9,10-dihydroanthracen-9-yl)methanamine
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
(3-methoxy-9,10-dihydroanthracen-9-yl)methanamine
Canonical SMILES
COC1=CC2=C(C=C1)C(C3=CC=CC=C3C2)CN
InChI
InChI=1S/C16H17NO/c1-18-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)16(15)10-17/h2-7,9,16H,8,10,17H2,1H3
InChIKey
DTEPCKRLYVEVEM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25138699
CAS Number
1075741-20-6
TTD ID
D0B9ZK

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.