Details of the Drug

General Information of Drug (ID: DMCOJIL)

Drug Name

4-(3,4-Dihydro-1H-isoquinolin-2-yl)-quinoline

Synonyms

CHEMBL50166; 4-(3,4-Dihydro-1H-isoquinolin-2-yl)-quinoline; SCHEMBL6159581; ZINC26870; BDBM50127827

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

260.3

Logarithm of the Partition Coefficient (xlogp)

3.8

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C18H16N2
IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)quinoline
Canonical SMILES: C1CN(CC2=CC=CC=C21)C3=CC=NC4=CC=CC=C43
InChI: InChI=1S/C18H16N2/c1-2-6-15-13-20(12-10-14(15)5-1)18-9-11-19-17-8-4-3-7-16(17)18/h1-9,11H,10,12-13H2
InChIKey: HRDFYQVITWAQGZ-UHFFFAOYSA-N

Cross-matching ID

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]

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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.