Details of the Drug

General Information of Drug (ID: DMNQWZO)

Drug Name

6-(2-Dipropylamino-ethyl)-biphenyl-2,3-diol

Synonyms

CHEMBL300995; 6-(2-Dipropylamino-ethyl)-biphenyl-2,3-diol

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)

313.4

Logarithm of the Partition Coefficient (xlogp)

4.9

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C20H27NO2
IUPAC Name: 4-[2-(dipropylamino)ethyl]-3-phenylbenzene-1,2-diol
Canonical SMILES: CCCN(CCC)CCC1=C(C(=C(C=C1)O)O)C2=CC=CC=C2
InChI: InChI=1S/C20H27NO2/c1-3-13-21(14-4-2)15-12-17-10-11-18(22)20(23)19(17)16-8-6-5-7-9-16/h5-11,22-23H,3-4,12-15H2,1-2H3
InChIKey: HDPTVXIDWCYRQU-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

Molecular Expression Atlas (MEA)

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References

1	Synthesis and dopaminergic binding of 2-aryldopamine analogues: phenethylamines, 3-benzazepines, and 9-(aminomethyl)fluorenes. J Med Chem. 1986 Oct;29(10):1904-12.