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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.