| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 19 | Yes |
Popular Name: Probenecid Probenecid
4-((Dipropylamino)sulfonyl)benzoic acid
4-(Di-n-propylaminosulfonyl)benzoic acid
4-(Di-n-propylsulfamoyl)benzoesaeure
4-(Di-n-propylsulfamoyl)benzoic acid
4-(dipropylsulfamoyl)benzoic acid
4-(dipropylsulfamoyl)benzoicacid
4-(N,N-Dipropylsulfamoyl)benzoesaeure
4-[(dipropylamino)sulfonyl]benzoic acid
57-66-9; Benemid (TN); D00475; Probenecid (JP16/USP/INN)
57-66-9; CPD000058280; Probenecid; SAM002554923
57-66-9; Prestwick_809; Probenecid
Benzoic acid, 4-((dipropylamino)sulfonyl)-
Benzoic acid, 4-[(dipropylamino)sulfonyl]-
Benzoic acid, p-(dipropylsulfamoyl)-
CPD000058280; Probenecid; SAM002554923
Ophthalmic Brand of Probenecid
p-(Dipropylsulfamoyl)benzoic acid
p-(Dipropylsulfamyl)benzoic acid
p-[Dipropylsulfamoyl]benzoic acid
probenecid; probenecida; probenecide; probenecidum
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.92 | 6.29 | -47.89 | 0 | 5 | -1 | 78 | 284.357 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 198 - 199 | Acros Organics |
| MP | 198 - 200 | Enamine Building Blocks |
| Melting_Point | 198-199? | Alfa-Aesar |
| Melting_Point | 198-199° | Alfa-Aesar |
| MP | 198...200 | Enamine Building Blocks |
| ALOGPS_SOLUBILITY | 4.25e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| H phrase | H351: Suspected of causing cancer | Acros Organics |
| H phrase | H351: Suspected of causing cancer; H302: Harmful if swallowed | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : P-4901; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R40: Limited evidence of a carcinogenic effect. | Acros Organics |
| UniProt Database Links | S226A_XENLA; S226B_XENLA; S22A6_BOVIN; S22A6_DANRE; S22A6_HUMAN; S22A6_MACFA; S22A6_MOUSE; S22A6_PIG; S22A6_PONAB; S22A6_PSEAM; S22A6_RABIT; S22A6_RAT; S22AK_HUMAN; S22AK_MOUSE; SC5A8_HUMAN | ChEBI |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: P-4901; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| Target | TRPV | Selleck Chemicals |
| Therapy | uricosuric | SMDC Iconix |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S22A6-1-E | Solute Carrier Family 22 Member 6 (cluster #1 Of 3), Eukaryotic | Eukaryotes | 6400 | 0.38 | Binding ≤ 10μM |
| S22AK-2-E | Solute Carrier Family 22 Member 20 (cluster #2 Of 2), Eukaryotic | Eukaryotes | 8511 | 0.37 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| S22AK_MOUSE | Q80UJ1 | Solute Carrier Family 22 Member 20, Mouse | 8400 | 0.37 | Binding ≤ 10μM |
| S22A6_MOUSE | Q8VC69 | Solute Carrier Family 22 Member 6, Mouse | 6309.57344 | 0.38 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Organic anion transport |
