Details of the Drug

General Information of Drug (ID: DMY65CX)

Drug Name

2-Methyl-8-phenyl-1,2,3,4-tetrahydro-isoquinoline

Synonyms

AC1MHU5K; 2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline; CHEMBL13101; SCHEMBL11488388; Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-8-phenyl-

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)

223.31

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C16H17N
IUPAC Name: 2-methyl-8-phenyl-3,4-dihydro-1H-isoquinoline
Canonical SMILES: CN1CCC2=C(C1)C(=CC=C2)C3=CC=CC=C3
InChI: InChI=1S/C16H17N/c1-17-11-10-14-8-5-9-15(16(14)12-17)13-6-3-2-4-7-13/h2-9H,10-12H2,1H3
InChIKey: XBKQADUXVZAYDY-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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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
Dopamine D1 receptor (D1R)	DTT	DRD1	8.99E-01	-0.06	-0.3
Dopamine D2 receptor (D2R)	DTT	DRD2	2.20E-03	-0.51	-1.35

Molecular Expression Atlas (MEA)

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References

1	Synthesis and evaluation of 1,2,3,4-tetrahydro[1]benzothieno[2,3-h]isoquinolines as dopamine antagonists. J Med Chem. 1981 Sep;24(9):1107-10.