Details of the Drug

General Information of Drug (ID: DMDHVY0)

Drug Name
C-(5H-Dibenzo[a,d]cyclohepten-5-yl)-methylamine
Synonyms
CHEMBL46619; AC1L4MLR; C-(5H-Dibenzo[a,d]cyclohepten-5-yl)-methylamine; SCHEMBL11335219; CTK7E4003; BKZVRYQHIBSITO-UHFFFAOYSA-N; ZINC3622666; BDBM50097217; 5-aminomethyl-5H-dibenzo[a,d]cycloheptene; 5H-Dibenzo[a,d]cycloheptene-5-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) 221.3
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C16H15N
IUPAC Name
2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylmethanamine
Canonical SMILES
C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)CN
InChI
InChI=1S/C16H15N/c17-11-16-14-7-3-1-5-12(14)9-10-13-6-2-4-8-15(13)16/h1-10,16H,11,17H2
InChIKey
BKZVRYQHIBSITO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
209436
TTD ID
D0L0MU

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.