Details of the Drug

General Information of Drug (ID: DMY35HG)

Drug Name
2-(1-o-tolyl-1H-pyrrol-3-yl)ethanamine
Synonyms CHEMBL232994
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) 200.28
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C13H16N2
IUPAC Name
2-[1-(2-methylphenyl)pyrrol-3-yl]ethanamine
Canonical SMILES
CC1=CC=CC=C1N2C=CC(=C2)CCN
InChI
InChI=1S/C13H16N2/c1-11-4-2-3-5-13(11)15-9-7-12(10-15)6-8-14/h2-5,7,9-10H,6,8,14H2,1H3
InChIKey
MQJFADBSJHNKPK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
44431707
TTD ID
D04GBL

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 7 receptor (HTR7) TTO9X1H 5HT7R_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 7 receptor (HTR7) DTT HTR7 9.79E-01 -0.08 -0.32
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Novel aminoethylbiphenyls as 5-HT7 receptor ligands. Bioorg Med Chem Lett. 2007 Jun 1;17(11):3018-22.