Details of the Drug

General Information of Drug (ID: DMJORCV)

Drug Name
2-(4-chlorophenylsulfonyl)naphthalene-1,4-diol
Synonyms CHEMBL460104; 2-(4-chlorophenylsulfonyl)naphthalene-1,4-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) 334.8
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C16H11ClO4S
IUPAC Name
2-(4-chlorophenyl)sulfonylnaphthalene-1,4-diol
Canonical SMILES
C1=CC=C2C(=C1)C(=CC(=C2O)S(=O)(=O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C16H11ClO4S/c17-10-5-7-11(8-6-10)22(20,21)15-9-14(18)12-3-1-2-4-13(12)16(15)19/h1-9,18-19H
InChIKey
SXWUEZFUYNUEML-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
25154759
TTD ID
D0K1CU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Beta-ketoacyl-ACP synthase III (Bact fabH) TTRVTMX FABH_ECOLI Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis and biological evaluation of novel sulfonyl-naphthalene-1,4-diols as FabH inhibitors. Bioorg Med Chem Lett. 2008 Dec 15;18(24):6402-5.