Details of the Drug

General Information of Drug (ID: DM5D09Q)

Drug Name
2-Pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline
Synonyms CHEMBL51594; 2-Pyridin-4-yl-1,2,3,4-tetrahydro-isoquinoline; SCHEMBL6441852; CIOBWNSCGKJAQU-UHFFFAOYSA-N; ZINC13489832; BDBM50127824; AKOS027557951
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) 210.27
Topological Polar Surface Area (xlogp) 2.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H14N2
IUPAC Name
2-pyridin-4-yl-3,4-dihydro-1H-isoquinoline
Canonical SMILES
C1CN(CC2=CC=CC=C21)C3=CC=NC=C3
InChI
InChI=1S/C14H14N2/c1-2-4-13-11-16(10-7-12(13)3-1)14-5-8-15-9-6-14/h1-6,8-9H,7,10-11H2
InChIKey
CIOBWNSCGKJAQU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9877750
TTD ID
D0B4DP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1A (ADRA1A) TTNGILX ADA1A_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1B (ADRA1B) TTBRKXS ADA1B_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 1 (NMDAR1) TTLD29N NMDZ1_HUMAN Inhibitor [1]
Glutamate receptor ionotropic NMDA 2B (NMDAR2B) TTN9D8E NMDE2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

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