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Compound Detail

CHEMBL364571

PHENYLARSONIC ACID
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O=[As](O)(O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364571
Name PHENYLARSONIC ACID
Phase Preclinical
Structure Type MOL
InChI Key LVKZSFMYNWRPJX-UHFFFAOYSA-N
12
Targets
91
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

202.0
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H7AsO3
MW 202.04

Activity Summary

Ki 91 meas. best 10.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase
CHEMBL1649055
 Ki 10.17 10.17 0.1 1
Alpha carbonic anhydrase
CHEMBL1075028
 Ki 9.11 9.11 0.8 1
Carbonic anhydrase 6
CHEMBL3025
 Ki 7.86 7.86 13.9 1
Carbonic anhydrase 4
CHEMBL3729
 Ki 6.06 6.06 870.0 1
Unchecked
CHEMBL612545
 Ki 5.3 4.4646 5000.0 35
Carbonic anhydrase
CHEMBL3596083
 Ki 5.05 5.05 9000.0 1
Carbonic anhydrase 7
CHEMBL2326
 Ki 4.9 4.9 12500.0 1
Carbonic anhydrase
CHEMBL5931
 Ki 4.4 4.4 40000.0 1
Carbonic anhydrase 9
CHEMBL3594
 Ki 4.26 4.26 55000.0 1
Astrosclerin-3
CHEMBL1944499
 Ki 4.14 4.14 72000.0 1
Carbonic anhydrase 14
CHEMBL3510
 Ki 4.08 4.08 84000.0 1
Carbonic anhydrase
CHEMBL6185
 Ki 4.01 4.01 98000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase Ki = 0.0672 nM 10.17 Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hyd... 21208801
Alpha carbonic anhydrase Ki = 0.78 nM 9.11 Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydra... 21208801
Carbonic anhydrase 6 Ki = 13.9 nM 7.86 Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assay 21208801
Carbonic anhydrase 4 Ki = 870.0 nM 6.06 Inhibition constant against human carbonic anhydrase isozyme hCA IV 15501038
Unchecked Ki = 5000.0 nM 5.3 Inhibition of Sulfurihydrogenibium yellowstonense YO3AOP1 alpha-carbonic anhydra... 22835873
Unchecked Ki = 5100.0 nM 5.29 Inhibition of human recombinant CA11 mutant after 15 mins by stopped-flow CO2 hy... 23200251
Unchecked Ki = 5860.0 nM 5.23 Inhibition of Streptococcus pneumoniae beta-carbonic anhydrase after 15 mins by ... 21163660
Unchecked Ki = 6000.0 nM 5.22 Inhibition of Flaveria bidentis beta-carbonic anhydrase-1 preincubated for 15 mi... 23414801
Unchecked Ki = 6000.0 nM 5.22 Inhibition of recombinant Plasmodium falciparum eta-carbonic anhydrase preincuba... 25168745
Unchecked Ki = 7000.0 nM 5.16 Inhibition of Clostridium perfringens carbonic anhydrase preincubated for 15 min... 24210500
Unchecked Ki = 8000.0 nM 5.1 Inhibition of Legionella pneumophila carbonic anhydrase 2 preincubated for 15 mi... 24461298
Carbonic anhydrase Ki = 9000.0 nM 5.05 Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 e... 26068018
Unchecked Ki = 9100.0 nM 5.04 Inhibition of Salmonella Typhimurium carbonic anhydrase 1 after 15 mins by stopp... 21570835
Unchecked Ki = 9600.0 nM 5.02 Inhibition of human recombinant CA8 mutant after 15 mins by stopped-flow CO2 hyd... 23200251
Carbonic anhydrase 7 Ki = 12500.0 nM 4.9 Inhibition of human recombinant CA7 16621537
Unchecked Ki = 16300.0 nM 4.79 Inhibition of Salmonella Typhimurium carbonic anhydrase 2 after 15 mins by stopp... 21570835
Unchecked Ki = 23000.0 nM 4.64 Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins ... 27283786
Unchecked Ki = 23000.0 nM 4.64 Inhibition of Vibrio cholerae alpha carbonic anhydrase preincubated for 15 mins ... 23414807
Unchecked Ki = 23000.0 nM 4.64 Inhibition of Vibrio cholerae alpha-carbonic anhydrase preincubated for 15 mins ... 26853167
Unchecked Ki = 29000.0 nM 4.54 Inhibition of human recombinant CA10 mutant after 15 mins by stopped-flow CO2 hy... 23200251

Literature References

PubMed DOI Target Context # Activities
27914949 10.1016/j.bmc.2016.11.021 Unchecked 4
27283786 10.1016/j.bmc.2016.05.029 Unchecked 4
23200251 10.1016/j.bmcl.2012.10.103 Unchecked 3
26145820 10.1016/j.bmc.2015.06.021 Unchecked 3
18993072 10.1016/j.bmcl.2008.10.100 Carbonic anhydrase 2
25168748 10.1016/j.bmcl.2014.08.014 Unchecked 2
21570835 10.1016/j.bmcl.2011.04.105 Unchecked 2
22835873 10.1016/j.bmcl.2012.06.106 Unchecked 2
23790722 10.1016/j.bmc.2013.05.058 Unchecked 2
28238511 10.1016/j.bmc.2017.02.032 Unchecked 2
23414801 10.1016/j.bmcl.2013.01.087 Unchecked 2
23414807 10.1016/j.bmcl.2013.01.084 Unchecked 2
26853167 10.1016/j.bmcl.2016.01.072 Unchecked 2
28754318 10.1016/j.bmc.2017.07.033 Unchecked 2
24461298 10.1016/j.bmcl.2013.12.124 Unchecked 2
17257840 10.1016/j.bmcl.2006.12.113 Carbonic anhydrase 2 1
17257840 10.1016/j.bmcl.2006.12.113 Carbonic anhydrase 12 1
17257840 10.1016/j.bmcl.2006.12.113 Carbonic anhydrase 9 1
16621537 10.1016/j.bmcl.2006.03.078 Carbonic anhydrase 7 1
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase 9 1

Data from ChEMBL 36 via Core Engine