Details of the Drug

General Information of Drug (ID: DM4SPV7)

Drug Name

4-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol

Synonyms

HS-1793; CHEMBL248499; 927885-00-5; 4-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol; 4-(6-hydroxy-2-naphthyl)-1,3-benzenediol; AOB4534; BCP17387; ZINC28878526; BDBM50197244

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)

252.26

Logarithm of the Partition Coefficient (xlogp)

3.7

Rotatable Bond Count (rotbonds)

1

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C16H12O3
IUPAC Name: 4-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
Canonical SMILES: C1=CC2=C(C=CC(=C2)O)C=C1C3=C(C=C(C=C3)O)O
InChI: InChI=1S/C16H12O3/c17-13-4-3-10-7-12(2-1-11(10)8-13)15-6-5-14(18)9-16(15)19/h1-9,17-19H
InChIKey: BXZJBSHLEZAMOP-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 16215105
TTD ID: D0M7LC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tyrosinase (TYR)	TTULVH8	TYRO_HUMAN	Inhibitor	[1]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Caspase-3 (CASP3)	OTIJRBE7	CASP3_HUMAN	Gene/Protein Processing	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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
Tyrosinase (TYR)	DTT	TYR	6.68E-04	2.54	1.15

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Syntheses of hydroxy substituted 2-phenyl-naphthalenes as inhibitors of tyrosinase. Bioorg Med Chem Lett. 2007 Jan 15;17(2):461-4.
2	Differential effects of resveratrol and novel resveratrol derivative, HS-1793, on endoplasmic reticulum stress-mediated apoptosis and Akt inactivation. Int J Oncol. 2010 Apr;36(4):1007-13. doi: 10.3892/ijo_00000581.