General Information of the Compound
Compound ID
CP0069674
Compound Name
4-Dipropylsulfamoyl-benzoic acid
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Synonyms
4-((Dipropylamino)sulfonyl)benzoic acid;4-(Di-n-propylsulfamoyl)benzoesaeure
4-(Dipropylsulfamoyl)benzoic acid
4-(N,N-Dipropylsulfamoyl)benzoesaeure
4-[(dipropylamino)sulfonyl]benzoic acid
Apurina
Bencid
Benecid
Benemid
Benemid (TN)
Benemide
Benuryl
Benuryl (TN)
Biokanol Brand of Probenecid
Col-BENEMID
ColBenemid (co mponent of)
ColBenemid (component of)
ICN Brand of Probenecid
IDIS Brand of Probenecid
Major Brand of Probenecid
Martec Brand of Probenecid
Merck Brand of Probenecid
Ophthalmic Brand of Probenecid
P-(Dipropylsulfamoyl)benzoic acid
P-(Dipropylsulfamyl)benzoic acid
P-[Dipropylsulfamoyl]benzoic acid
Panuric
Parabenem
Parmed Brand of Probenecid
Polycillin-BRB
Polycillin-PRB (component of)
Pro-Cid
Probalan
Probampacin
Probecid
Proben
Probenecid
Probenecid (JP15/USP/INN)
Probenecid Major Brand
Probenecid Martec Brand
Probenecid Parmed Brand
Probenecid Weimer
Probenecid Zenith Brand
Probenecid [INN:BAN:JAN]
Probenecid acid
Probenecida
Probenecida [INN-Spanish]
Probenecide
Probenecide [INN-French]
Probenecidum
Probenecidum [INN-Latin]
Probenemid
Probenicid
Probenid
Probexin
Prolongine
Robenecid
Sulprin
Synergid R
Tubophan
Uricosid
Urocid
Valdecasas Brand of Probenecid
Zenith Brand of Probenecid
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Structure
Formula
C13H19NO4S
Molecular Weight
285.365
Canonical SMILES
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
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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,15,16)
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InChIKey
DBABZHXKTCFAPX-UHFFFAOYSA-N
CAS
57-66-9
Physicochemical Property
logP
2.1955
Rotatable Bonds
7
Heavy Atom Count
19
Polar Areas
74.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
19

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 4911
SID: 14873183
ChEMBL ID
CHEMBL897
DrugBank ID
DB01032
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06258, Organic anion transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 3020 nM
   TI
   LI
   LO
   TS
Protein ID: PT02209, Organic anion transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  2
1
Ki = 4410 nM
   TI
   LI
   LO
   TS
2
Ki = 29800 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9000 nM
Protein ID: PT05092, Organic anion transporter 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  2
1
Ki = 4430 nM
   TI
   LI
   LO
   TS
2
Ki = 20000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04064, Solute carrier family 22 member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 6300 nM
   TI
   LI
   LO
   TS
2
IC50 = 7400 nM
   TI
   LI
   LO
   TS
3
Ki = 4300 nM
   TI
   LI
   LO
   TS
CL000090 Schneider 2 Drosophila melanogaster (Fruit fly)  1
1
Ki = 4410 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12100 nM
Protein ID: PT06061, Solute carrier family 22 member 6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Ki = 31000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06135, Solute carrier organic anion transporter family member 1A1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Ki = 74400 nM
   TI
   LI
   LO
   TS
Protein ID: PT06133, Solute carrier organic anion transporter family member 1A4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000009 LLC-PK1 Sus scrofa (Pig)  1
1
Ki = 72900 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Probenecid )
Drug Name Probenecid
Indication
Hyperuricaemia
Approved
Gout
Approved
Target(s)
Solute carrier family 22 member 8 (SLC22A8)
Blocker