Details of the Drug

General Information of Drug (ID: DMAJ8BS)

Drug Name
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
Synonyms 5-CHLORO-2-(2-CHLORO-4-NITROPHENOXY)PHENOL; CHEMBL370595; TN2; AC1OA9SQ; Phenol, 5-chloro-2-(2-chloro-4-nitrophenoxy)-; BDBM50174770; 36859-73-1; 5-chloro-(2-chloro-4-nitrophenoxy)phenol
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) 300.09
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C12H7Cl2NO4
IUPAC Name
5-chloro-2-(2-chloro-4-nitrophenoxy)phenol
Canonical SMILES
C1=CC(=C(C=C1[N+](=O)[O-])Cl)OC2=C(C=C(C=C2)Cl)O
InChI
InChI=1S/C12H7Cl2NO4/c13-7-1-3-12(10(16)5-7)19-11-4-2-8(15(17)18)6-9(11)14/h1-6,16H
InChIKey
DEDBMNCDHFNYKX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6852143
ChEBI ID
CHEMBL370595
TTD ID
D0Z7FM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasmodium Enoyl-ACP reductase (Malaria fabI) TTNX2CS Q965D5_PLAFA Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Synthesis, biological activity, and X-ray crystal structural analysis of diaryl ether inhibitors of malarial enoyl acyl carrier protein reductase. ... Bioorg Med Chem Lett. 2005 Dec 1;15(23):5247-52.