Details of the Drug

General Information of Drug (ID: DMIXT2L)

Drug Name

6-(3,5-dimethoxy-phenyl)-naphthalen-2-ol

Synonyms

CHEMBL362997; 6-(3,5-Dimethoxy-phenyl)-naphthalen-2-ol; BDBM50186758

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)

280.3

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H16O3
IUPAC Name: 6-(3,5-dimethoxyphenyl)naphthalen-2-ol
Canonical SMILES: COC1=CC(=CC(=C1)C2=CC3=C(C=C2)C=C(C=C3)O)OC
InChI: InChI=1S/C18H16O3/c1-20-17-9-15(10-18(11-17)21-2)13-3-4-14-8-16(19)6-5-12(14)7-13/h3-11,19H,1-2H3
InChIKey: HYWKEQNSMAOKKU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Multidrug resistance protein 1 (ABCB1)	TT3OT40	MDR1_HUMAN	Inhibitor	[1]

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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
Multidrug resistance protein 1 (ABCB1)	DTT	ABCB1	3.12E-33	-0.83	-1.04

Molecular Expression Atlas (MEA)

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References

1	Identification of a terphenyl derivative that blocks the cell cycle in the G0-G1 phase and induces differentiation in leukemia cells. J Med Chem. 2006 May 18;49(10):3012-8.