Details of the Drug

General Information of Drug (ID: DMTDX2S)

Drug Name
4-Chloro-N-(4-chloro-benzoyl)-benzenesulfonamide
Synonyms
BAS 00692952; AC1LHFP5; Oprea1_686071; 4-Chloro-N-(4-chloro-benzoyl)-benzenesulfonamide; Oprea1_072837; CHEMBL365275; SCHEMBL10989349; MolPort-000-293-593; ZINC364345; AKOS001022179; MCULE-2798437162; 4-chloro-N-(4-chlorophenyl)sulfonylbenzamide; 4-chloro-N-((4-chlorophenyl)sulfonyl)benzamide; SR-01000319886; SR-01000319886-1
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) 330.2
Logarithm of the Partition Coefficient (xlogp) 3.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H9Cl2NO3S
IUPAC Name
4-chloro-N-(4-chlorophenyl)sulfonylbenzamide
Canonical SMILES
C1=CC(=CC=C1C(=O)NS(=O)(=O)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C13H9Cl2NO3S/c14-10-3-1-9(2-4-10)13(17)16-20(18,19)12-7-5-11(15)6-8-12/h1-8H,(H,16,17)
InChIKey
IZIJDUMIQKCMGD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
837182
ChEBI ID
CHEMBL365275
CAS Number
14068-02-1
TTD ID
D09MSA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Vascular endothelial growth factor receptor 2 (KDR) TTUTJGQ VGFR2_HUMAN Inhibitor [1]
Vascular endothelial growth factor receptor 3 (FLT-4) TTDCBX5 VGFR3_HUMAN Inhibitor [1]
VEGFR1 messenger RNA (VEGFR1 mRNA) TT1VAUK VGFR1_HUMAN Inhibitor [1]
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Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Vascular endothelial growth factor receptor 2 (KDR) DTT KDR 1.98E-01 0.11 0.2
Vascular endothelial growth factor receptor 3 (FLT-4) DTT FLT4 6.00E-01 -0.04 -0.23
VEGFR1 messenger RNA (VEGFR1 mRNA) DTT FLT1 1.64E-05 0.29 0.51
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Acyl sulfonamide anti-proliferatives: benzene substituent structure-activity relationships for a novel class of antitumor agents. J Med Chem. 2004 Oct 21;47(22):5367-80.