General Information of Drug (ID: DM3CWFR)

Drug Name
Ethyl-indol-1-yl-pyridin-4-yl-amine
Synonyms CHEMBL154541; Ethyl-indol-1-yl-pyridin-4-yl-amine; SCHEMBL7613957; BDBM50048600
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) 237.3
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C15H15N3
IUPAC Name
N-ethyl-N-pyridin-4-ylindol-1-amine
Canonical SMILES
CCN(C1=CC=NC=C1)N2C=CC3=CC=CC=C32
InChI
InChI=1S/C15H15N3/c1-2-17(14-7-10-16-11-8-14)18-12-9-13-5-3-4-6-15(13)18/h3-12H,2H2,1H3
InChIKey
RBKZPZVPVZNIMS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10561859
TTD ID
D0F5TA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-2A (ADRA2A) TTWG9A4 ADA2A_HUMAN Inhibitor [1]
Adrenergic receptor alpha-2B (ADRA2B) TTWM4TY ADA2B_HUMAN Inhibitor [1]
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_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
Adrenergic receptor alpha-2C (ADRA2C) DTT ADRA2C 1.76E-01 -0.06 -0.28
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and structure-activity relationships of N-propyl-N-(4-pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeu... J Med Chem. 1996 Jan 19;39(2):570-81.