Molecular Details
DICL_CP_0323996
- 4-(dipropylsulfamoyl)benzoic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323996
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
-3.5474 2.3839 0.4292 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0273 2.3376 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5588 1.084...
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
Not mention
Holding Potential
−40 mV mV
Temperature
18 °C
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
URL
N/A (Not available)
PMID
Patent
N/A (Not available)
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