Details of the Drug

General Information of Drug (ID: DMO3KU5)

Drug Name
Diclosan
Synonyms
SONECLOSAN; DICLOSAN; 3380-30-1; 5-chloro-2-(4-chlorophenoxy)phenol; 5-Chloro-2-(p-chlorophenoxy)phenol; UNII-814H7B74XK; hydroxydichlorodiphenyl ether; Phenol, 5-chloro-2-(p-chlorophenoxy)-; 814H7B74XK; Snoclosan; Soneclosan [INN]; DCN; Tinosan HP-100; Phenol, 5-chloro-2-(4-chlorophenoxy)-; AC1L2CUC; AC1Q3QSN; EC 429-290-0; SCHEMBL465591; CHEMBL1232142; CTK1C4131; DTXSID80187464; ZINC2027016; ACT08242; AKOS027382858; DB04393; 4,4'-dichloro-2-hydroxydiphenyl ether
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) 255.09
Logarithm of the Partition Coefficient (xlogp) 4.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C12H8Cl2O2
IUPAC Name
5-chloro-2-(4-chlorophenoxy)phenol
Canonical SMILES
C1=CC(=CC=C1OC2=C(C=C(C=C2)Cl)O)Cl
InChI
InChI=1S/C12H8Cl2O2/c13-8-1-4-10(5-2-8)16-12-6-3-9(14)7-11(12)15/h1-7,15H
InChIKey
BYNQFCJOHGOKSS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
18807
CAS Number
3380-30-1
UNII
814H7B74XK
DrugBank ID
DB04393
TTD ID
D03PJO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Fatty acid synthetase I (Bact inhA) TTVTX4N INHA_MYCTU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.