Details of the Drug

General Information of Drug (ID: DMJRBKO)

Drug Name
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
Synonyms CHEMBL197892; 5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol; SCHEMBL1741908; ZINC28527773; BDBM50186767; 5-(6-hydroxy-2-naphthyl)benzene-1,3-diol; 5-(6-Hydroxy-naphthalen-2-yl)-benzene-1,3-diol
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
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
5-(6-hydroxynaphthalen-2-yl)benzene-1,3-diol
Canonical SMILES
C1=CC2=C(C=CC(=C2)O)C=C1C3=CC(=CC(=C3)O)O
InChI
InChI=1S/C16H12O3/c17-14-4-3-10-5-11(1-2-12(10)6-14)13-7-15(18)9-16(19)8-13/h1-9,17-19H
InChIKey
CKQUMNKKOYTAST-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11514345
ChEBI ID
CHEMBL197892
TTD ID
D0AZ0Y
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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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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) 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.