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
Logarithm of the Partition Coefficient (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
ChEBI ID
CHEMBL51594
TTD ID
D0B4DP
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Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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

1 4-(3,4-dihydro-1H-isoquinolin-2yl)-pyridines and 4-(3,4-dihydro-1H-isoquinolin-2-yl)-quinolines as potent NR1/2B subtype selective NMDA receptor an... Bioorg Med Chem Lett. 2003 May 19;13(10):1759-62.