| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 14 | Yes |
Popular Name: Potassium clavulanate Potassium clavulanate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 58001-44-8 , 58001-44-8(acid) , 61177-44-4 , 61177-45-5 , [58001-44-8] , [61177-45-5]
(3R,5R)-clavulanic acid; CPD-9261; clavulanate
58001-44-8; C06662; Clavulanate; Clavulanic acid
58001-44-8; CVA; Clavulanic acid (INN); Clavulox (TN); D07711
61177-45-5; CVA; Clavulanate potassium (JP16/USP); D02370
Clavulanate potassium with Microcrystalline Cellulose(AVICEL) 1:1
Clavulanic acid, Antibiotic for Culture Media Use Only
INN); Clavulanate Potassium (JAN
Lithium (2R,5R,Z)-3-(2-hydroxyethylidene)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptane-2-carboxylate
MI); Clavulanate potassium (FDA
| 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) | -2.42 | -3.38 | -49.41 | 1 | 6 | -1 | 90 | 198.154 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.37e+02 g/l | DrugBank-approved |
| Purity | 95% | Fluorochem |
| therap | beta-lactamase inhibitor | MicroSource Spectrum |
| Therapy | beta-lactamase inhibitor; antibiotic | SMDC Pharmakon |
| UniProt Database Links | CAS1_STRC2; CAS2_STRC2; GNAT2_STRCL; PAH_STRC2; PAH_STRCL | ChEBI |
| Patent Database Links | EP0867515; EP1122305; EP1405913; EP1808166; EP1815846; EP1829527; EP1829528; EP1880716; EP1938822; GB2264944; US2005148629; US2005227309; US2006014230; US2006172987; US2007202051; US2007219175; US2007219221; US2008145322; US2008255073; WO2005023257; WO200 | ChEBI |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A0ZX81-1-B | Beta-lactamase (cluster #1 Of 1), Bacterial | Bacteria | 1720 | 0.58 | Binding ≤ 10μM |
| A1E3K9-1-B | Beta-lactamase SCO-1 (cluster #1 Of 1), Bacterial | Bacteria | 70 | 0.72 | Binding ≤ 10μM |
| A4KCT8-1-B | Gil1 (cluster #1 Of 1), Bacterial | Bacteria | 9 | 0.80 | Binding ≤ 10μM |
| A8RR46-1-B | Beta-lactamase (cluster #1 Of 1), Bacterial | Bacteria | 85 | 0.71 | Binding ≤ 10μM |
| AMPC-5-B | Beta-lactamase (cluster #5 Of 6), Bacterial | Bacteria | 800 | 0.61 | Binding ≤ 10μM |
| BLA1-1-B | Beta-lactamase L1 (cluster #1 Of 3), Bacterial | Bacteria | 170 | 0.68 | Binding ≤ 10μM |
| BLAC-1-B | Beta-lactamase (cluster #1 Of 1), Bacterial | Bacteria | 80 | 0.71 | Binding ≤ 10μM |
| BLAT-3-B | Beta-lactamase TEM (cluster #3 Of 4), Bacterial | Bacteria | 800 | 0.61 | Binding ≤ 10μM |
| BLO1-1-B | Beta-lactamase OXA-1 (cluster #1 Of 1), Bacterial | Bacteria | 3200 | 0.55 | Binding ≤ 10μM |
| D1MIX9-1-B | Beta-lactamase GES-13 (cluster #1 Of 1), Bacterial | Bacteria | 100 | 0.70 | Binding ≤ 10μM |
| Q2XPY6-1-B | Extended-spectrum Beta-lactamase CTX-M-53 (cluster #1 Of 1), Bacterial | Bacteria | 10 | 0.80 | Binding ≤ 10μM |
| Q4TVR4-1-B | Beta-lactamase SHV-55 (cluster #1 Of 1), Bacterial | Bacteria | 20 | 0.77 | Binding ≤ 10μM |
| Q50H31-1-B | Class D Beta-lactamase (cluster #1 Of 1), Bacterial | Bacteria | 2000 | 0.57 | Binding ≤ 10μM |
| Q6GWS8-1-B | Beta-lactamase TEM-125 (cluster #1 Of 1), Bacterial | Bacteria | 8600 | 0.51 | Binding ≤ 10μM |
| Q9EXV5-1-B | Beta-lactamase (cluster #1 Of 1), Bacterial | Bacteria | 9 | 0.80 | Binding ≤ 10μM |
| BLAT-1-B | Beta-lactamase TEM (cluster #1 Of 1), Bacterial | Bacteria | 60 | 0.72 | Functional ≤ 10μM |
| Z50212-1-O | Escherichia Coli (cluster #1 Of 7), Other | Other | 40 | 0.74 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9EXV5_ECOLX | Q9EXV5 | Beta-lactamase, Ecolx | 9 | 0.80 | Binding ≤ 1μM |
| AMPC_PSEAE | P24735 | Beta-lactamase, Pseae | 800 | 0.61 | Binding ≤ 1μM |
| AMPC_ECOLI | P00811 | Beta-lactamase, Ecoli | 15 | 0.78 | Binding ≤ 1μM |
| BLAC_STAAU | P00807 | Beta-lactamase, Staau | 80 | 0.71 | Binding ≤ 1μM |
| A8RR46_BACCS | A8RR46 | Beta-lactamase, Baccs | 85 | 0.71 | Binding ≤ 1μM |
| D1MIX9_PSEAI | D1MIX9 | Beta-lactamase GES-13, Pseai | 100 | 0.70 | Binding ≤ 1μM |
| A1E3K9_ECOLX | A1E3K9 | Beta-lactamase SCO-1, Ecolx | 70 | 0.72 | Binding ≤ 1μM |
| BLA1_KLEPN | P0AD64 | Beta-lactamase SHV-1, Klepn | 170 | 0.68 | Binding ≤ 1μM |
| BLA1_ECOLX | P0AD63 | Beta-lactamase SHV-1, Ecolx | 28 | 0.76 | Binding ≤ 1μM |
| Q4TVR4_KLEPN | Q4TVR4 | Beta-lactamase SHV-55, Klepn | 20 | 0.77 | Binding ≤ 1μM |
| BLAT_ECOLX | P62593 | Beta-lactamase TEM, Ecolx | 170 | 0.68 | Binding ≤ 1μM |
| Q2XPY6_SALET | Q2XPY6 | Extended-spectrum Beta-lactamase CTX-M-53, Salet | 10 | 0.80 | Binding ≤ 1μM |
| A4KCT8_9ENTR | A4KCT8 | Gil1, 9entr | 9 | 0.80 | Binding ≤ 1μM |
| AMPC_ECOLI | P00811 | Beta-lactamase, Ecoli | 15 | 0.78 | Binding ≤ 10μM |
| Q9EXV5_ECOLX | Q9EXV5 | Beta-lactamase, Ecolx | 9 | 0.80 | Binding ≤ 10μM |
| BLAC_STAAU | P00807 | Beta-lactamase, Staau | 80 | 0.71 | Binding ≤ 10μM |
| A8RR46_BACCS | A8RR46 | Beta-lactamase, Baccs | 85 | 0.71 | Binding ≤ 10μM |
| A0ZX81_KLEPN | A0ZX81 | Beta-lactamase, Klepn | 1720 | 0.58 | Binding ≤ 10μM |
| AMPC_PSEAE | P24735 | Beta-lactamase, Pseae | 800 | 0.61 | Binding ≤ 10μM |
| D1MIX9_PSEAI | D1MIX9 | Beta-lactamase GES-13, Pseai | 100 | 0.70 | Binding ≤ 10μM |
| BLO1_ECOLX | P13661 | Beta-lactamase OXA-1, Ecolx | 3200 | 0.55 | Binding ≤ 10μM |
| A1E3K9_ECOLX | A1E3K9 | Beta-lactamase SCO-1, Ecolx | 70 | 0.72 | Binding ≤ 10μM |
| BLA1_KLEPN | P0AD64 | Beta-lactamase SHV-1, Klepn | 170 | 0.68 | Binding ≤ 10μM |
| BLA1_ECOLX | P0AD63 | Beta-lactamase SHV-1, Ecolx | 28 | 0.76 | Binding ≤ 10μM |
| Q4TVR4_KLEPN | Q4TVR4 | Beta-lactamase SHV-55, Klepn | 20 | 0.77 | Binding ≤ 10μM |
| BLAT_ECOLX | P62593 | Beta-lactamase TEM, Ecolx | 170 | 0.68 | Binding ≤ 10μM |
| Q6GWS8_ECOLX | Q6GWS8 | Beta-lactamase TEM-125, Ecolx | 8600 | 0.51 | Binding ≤ 10μM |
| Q50H31_BRAPL | Q50H31 | Class D Beta-lactamase, Brapl | 2000 | 0.57 | Binding ≤ 10μM |
| Q2XPY6_SALET | Q2XPY6 | Extended-spectrum Beta-lactamase CTX-M-53, Salet | 10 | 0.80 | Binding ≤ 10μM |
| A4KCT8_9ENTR | A4KCT8 | Gil1, 9entr | 9 | 0.80 | Binding ≤ 10μM |
| BLAT_ECOLX | P62593 | Beta-lactamase TEM, Ecolx | 60 | 0.72 | Functional ≤ 10μM |
| Z50212 | Z50212 | Escherichia Coli | 40 | 0.74 | Functional ≤ 10μM |
