Details of the Drug

General Information of Drug (ID: DMUZDSC)

Drug Name
2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL
Synonyms 2-[1-(4-chlorophenyl)ethyl]-4,6-dinitrophenol; DNP-19; AC1MRP5X; CHEBI:74325; 2-[1-(p-chlorophenyl)ethyl]-4,6-dinitrophenol; 2-[1-(p-chlorophenyl)ethyl] 4,6-dinitrophenol
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) 322.7
Logarithm of the Partition Coefficient (xlogp) 4.9
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C14H11ClN2O5
IUPAC Name
2-[(1R)-1-(4-chlorophenyl)ethyl]-4,6-dinitrophenol
Canonical SMILES
C[C@H](C1=CC=C(C=C1)Cl)C2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O
InChI
InChI=1S/C14H11ClN2O5/c1-8(9-2-4-10(15)5-3-9)12-6-11(16(19)20)7-13(14(12)18)17(21)22/h2-8,18H,1H3/t8-/m1/s1
InChIKey
MOZUMFSUQQHSCO-MRVPVSSYSA-N
Cross-matching ID
PubChem CID
446716
DrugBank ID
DB07490
TTD ID
D0B9FP

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Fumarate reductase flavoprotein (Bact frdA) TTHDSE2 FRDA_HELPY Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.