-Log alpha (ADMET)
|
= -2.98
|
Negative log of Langmuir's alpha constant (-log alpha), which is inversely proportional to the effective binding constant (protein binding)
|
ChEMBL.
|
6864729
|
-Log C (functional)
|
= 1.81
|
Minimum inhibitory concentration (bacteriostatic) against E. coli at pH 7.2 (Sauterne''s medium)
|
ChEMBL.
|
6864729
|
-Log C (functional)
|
= 1.81
|
Minimum inhibitory concentration (bacteriostatic) against E. coli at pH 7.2 (Sauterne''s medium)
|
ChEMBL.
|
6864729
|
AC50 (functional)
|
|
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active
|
ChEMBL.
|
No reference
|
AC50 (functional)
|
|
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active
|
ChEMBL.
|
No reference
|
AC50 (functional)
|
|
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active
|
ChEMBL.
|
No reference
|
AC50 (functional)
|
|
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active
|
ChEMBL.
|
No reference
|
AC50 (functional)
|
|
PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active
|
ChEMBL.
|
No reference
|
Activity (binding)
|
|
Inhibition of human liver MAOA
|
ChEMBL.
|
18834112
|
EII50 (binding)
|
= 10.2
|
Inhibition of E. coli (K12J53) Dihydopteroate synthase.
|
ChEMBL.
|
7021831
|
GII50 (functional)
|
= 38500
|
In vitro inhibition of E. coli (K12J53) growth.
|
ChEMBL.
|
7021831
|
GII50 (functional)
|
= 38500
|
In vitro inhibition of E. coli (K12J53) growth.
|
ChEMBL.
|
7021831
|
IC50 (binding)
|
> 100 uM
|
Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase
|
ChEMBL.
|
15482952
|
IC50 (binding)
|
> 100 uM
|
Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase
|
ChEMBL.
|
15482952
|
IC50 (binding)
|
> 100 uM
|
Inhibitory concentration against human cystolic isozyme II of Carbonic anhydrase
|
ChEMBL.
|
15482952
|
IC50 (binding)
|
> 100 uM
|
Inhibitory concentration against human cystolic isozyme V of Carbonic anhydrase
|
ChEMBL.
|
15482952
|
Inhibition (ADMET)
|
= 107.9625732 %
|
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM
|
ChEMBL.
|
23571415
|
Inhibition (ADMET)
|
= 119.1864043 %
|
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM
|
ChEMBL.
|
23571415
|
IZ (functional)
|
= 10 mm
|
Antibacterial activity against Salmonella enteritidis at 20 mg/ml by paper disc method
|
ChEMBL.
|
17110110
|
IZ (functional)
|
= 15 mm
|
Antibacterial activity against Salmonella enteritidis at 30 mg/ml by paper disc method
|
ChEMBL.
|
17110110
|
IZ (functional)
|
= 18 mm
|
Antibacterial activity against Salmonella enteritidis at 40 mg/ml by paper disc method
|
ChEMBL.
|
17110110
|
IZ (functional)
|
= 20 mm
|
Antibacterial activity against Pasteurella multocida at 20 mg/ml by paper disc method
|
ChEMBL.
|
17110110
|
IZ (functional)
|
= 25 mm
|
Antibacterial activity against Pasteurella multocida at 30 mg/ml by paper disc method
|
ChEMBL.
|
17110110
|
IZ (functional)
|
= 25 mm
|
Antibacterial activity against Pasteurella multocida at40 mg/ml by paper disc method
|
ChEMBL.
|
17110110
|
Ki (binding)
|
= 0.000069 M
|
Enzymatic activity of the compound was determined
|
ChEMBL.
|
6317859
|
Ki (binding)
|
= 95 nM
|
Inhibitory activity against human thrombin (using Chromozym TH as the substrate)
|
ChEMBL.
|
10794696
|
Ki (binding)
|
= 95 nM
|
Inhibitory activity against human thrombin (using Chromozym TH as the substrate)
|
ChEMBL.
|
10794696
|
Ki (binding)
|
= 1350 nM
|
Inhibitory activity against human trypsin (using Chromozym TH as the substrate)
|
ChEMBL.
|
10794696
|
Ki (binding)
|
= 1350 nM
|
Inhibitory activity against human trypsin (using Chromozym TH as the substrate)
|
ChEMBL.
|
10794696
|
Log K |
= -0.00612
|
Compound is evaluated for ionization constant log k
|
ChEMBL.
|
6864729
|
pKa |
= 12
|
pKa value of the compound is evaluated
|
ChEMBL.
|
6864729
|
Potency (functional)
|
= 0.0178 um
|
PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
0.92 uM
|
PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)
|
ChEMBL.
|
No reference
|
Potency (functional)
|
= 6.3096 um
|
PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]
|
ChEMBL.
|
No reference
|
Zone of inhibition (functional)
|
mM
|
Antibacterial activity of the compound against Escherichia coli at a concentration of 80 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
mM
|
Antibacterial activity of the compound against Escherichia coli at a concentration of 40 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
mM
|
Antibacterial activity of the compound against Escherichia coli at a concentration of 10 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
mM
|
Antibacterial activity of the compound against Escherichia coli at a concentration of 20 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Escherichia coli at a concentration of 10 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Escherichia coli at a concentration of 20 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Escherichia coli at a concentration of 40 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Escherichia coli at a concentration of 80 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Klebsiella pneumoniae at a concentration of 40 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Klebsiella pneumoniae at a concentration of 80 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Klebsiella pneumoniae at a concentration of 120 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Klebsiella pneumoniae at a concentration of 160 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Bacillus subtilis at a concentration of 40 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Bacillus subtilis at a concentration of 80 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Bacillus subtilis at a concentration of 120 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
0 mM
|
Antibacterial activity of the compound against Bacillus subtilis at a concentration of 160 ug/mL; no data
|
ChEMBL.
|
14552772
|
Zone of inhibition (functional)
|
= 10.9 mm
|
Antibacterial activity of compound against Bacillus subtilis at 20 ug/mL expressed as zone of inhibition
|
ChEMBL.
|
15603963
|
Zone of inhibition (functional)
|
= 11.23 mm
|
Antibacterial activity of compound against Bacillus subtilis at 10 ug/mL expressed as zone of inhibition
|
ChEMBL.
|
15603963
|
Zone of inhibition (functional)
|
= 17.9 mm
|
Antibacterial activity of compound against Bacillus subtilis at 40 ug/mL expressed as zone of inhibition
|
ChEMBL.
|
15603963
|
Zone of inhibition (functional)
|
= 21.76 mm
|
Antibacterial activity of compound against Bacillus subtilis at 80 ug/mL expressed as zone of inhibition
|
ChEMBL.
|
15603963
|