Details of the Drug

General Information of Drug (ID: DM1YK42)

Drug Name
9-Methoxy-1,2,3,4-tetrahydro-anthracen-2-ylamine
Synonyms CHEMBL64303; 9-Methoxy-1,2,3,4-tetrahydro-anthracen-2-ylamine; SCHEMBL8406908
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) 227.3
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H17NO
IUPAC Name
9-methoxy-1,2,3,4-tetrahydroanthracen-2-amine
Canonical SMILES
COC1=C2CC(CCC2=CC3=CC=CC=C31)N
InChI
InChI=1S/C15H17NO/c1-17-15-13-5-3-2-4-10(13)8-11-6-7-12(16)9-14(11)15/h2-5,8,12H,6-7,9,16H2,1H3
InChIKey
XZOPIEFNQZTGHL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10775682
CAS Number
179041-74-8
TTD ID
D09BJW

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_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 1A receptor (HTR1A) DTT HTR1A 2.18E-01 -0.11 -0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis of new derivatives of 8-OH-DPAT: Influence of substitution on the aromatic ring on the pharmacological profile, Bioorg. Med. Chem. Lett. 3(10):2035-2038 (1993).