Molecular Details
DICL_CP_0323997
- 4-(dipropylsulfamoyl)benzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323997
PubChem CID
Molecular Formula
C13H19NO4S Molecular Weight
285.365 g/mol
Synonyms/Alias
[probenecid; 57-66-9; 4-(Dipropylsulfamoyl)benzoic acid; Probenecid acid; Benemid; Probalan; Probecid; Probenemid; Benecid; Benuryl; p-(Dipropylsulfamoyl)benzoic acid; Prolongine; Apurina; Probexin; T...
InChI Key
DBABZHXKTCFAPX-UHFFFAOYSA-N
InChI
InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15...
IUPAC Name
4-(dipropylsulfamoyl)benzoic acid
CAS Number
57-66-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
38 38 0 0 0 0 0 0 0 0999 V2000
-1.2346 2.1302 0.8267 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1954 1.7233 -0.2894 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5910 0.643...
Experimental Data
Activity Data
Target Ion Channel
Pannexin-1
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 150000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
−60 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
7
logP
2.1955
Complexity
72.7421
TPSA (Ų)
74.68
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
1