Details of the Drug

General Information of Drug (ID: DMO724D)

Drug Name

6-(2-Amino-ethyl)-biphenyl-2,3,4'-triol

Synonyms

CHEMBL57470; ZINC29557762; BDBM50025207

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)

245.27

Logarithm of the Partition Coefficient (xlogp)

1.8

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C14H15NO3
IUPAC Name: 4-(2-aminoethyl)-3-(4-hydroxyphenyl)benzene-1,2-diol
Canonical SMILES: C1=CC(=CC=C1C2=C(C=CC(=C2O)O)CCN)O
InChI: InChI=1S/C14H15NO3/c15-8-7-10-3-6-12(17)14(18)13(10)9-1-4-11(16)5-2-9/h1-6,16-18H,7-8,15H2
InChIKey: AHHHSPLFRASFOU-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.