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Compound Detail

CHEMBL1229721

CHLORSULFURON
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COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1229721
Name CHLORSULFURON
Phase Preclinical
Structure Type MOL
InChI Key VJYIFXVZLXQVHO-UHFFFAOYSA-N
5
Targets
19
Activities
2
Assay Types
0
PK Parameters
19
Publications
0
Known Names

Molecular Properties

357.8
MW (Da)
1.35
ALogP
7
HBA
2
HBD
123.2
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H12ClN5O4S
MW 357.78
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.87

Activity Summary

IC50 17 meas. best 8.15
Ki 2 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetolactate synthase
CHEMBL2366443
 IC50 8.15 8.15 7.0 2
Acetolactate synthase
CHEMBL2366523
 IC50 7.52 6.0057 30.0 14
Acetolactate synthase catalytic subunit, mitochondrial
CHEMBL1075095
 Ki 6.9 6.9 127.0 1
Unchecked
CHEMBL612545
 Ki 6.36 6.36 434.0 1
Trypanosoma cruzi
CHEMBL368
 IC50 4.35 4.35 44970.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Acetolactate synthase IC50 = 7.0 nM 8.15 Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR7 (wild... 22431132
Acetolactate synthase IC50 = 7.0 nM 8.15 Inhibition of ALS in ALS-herbicide-susceptible Raphanus raphanistrum WARR33 (wil... 22431132
Acetolactate synthase IC50 = 30.0 nM 7.52 Inhibition of acetolactate synthase Pro-197/Pro-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 30.0 nM 7.52 Inhibition of acetolactate synthase Pro-197/Pro-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 30.0 nM 7.52 Inhibition of acetolactate synthase in Lolium rigidum accession A01 leaves extra... -
Acetolactate synthase IC50 = 40.0 nM 7.4 Inhibition of acetolactate synthase Pro-197/Pro-197 mutant in Lolium rigidum acc... -
Acetolactate synthase catalytic subunit, mitochondrial Ki = 127.0 nM 6.9 Inhibition of Saccharomyces cerevisiae acetohydroxyacid synthase by colorimetric... 23237384
Unchecked Ki = 434.0 nM 6.36 Inhibition of Candida albicans acetohydroxyacid synthase catalytic domain expres... 23237384
Acetolactate synthase IC50 = 870.0 nM 6.06 Inhibition of acetolactate synthase Pro-197/Arg-197 or Pro-197/Ser-197 or Pro/Va... -
Acetolactate synthase IC50 = 1090.0 nM 5.96 Inhibition of acetolactate synthase Ala-197/Ala-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 1580.0 nM 5.8 Inhibition of acetolactate synthase Ser-197/Ser-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 1620.0 nM 5.79 Inhibition of acetolactate synthase Leu-197/Leu-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 1820.0 nM 5.74 Inhibition of acetolactate synthase Pro-197/Leu-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 4890.0 nM 5.31 Inhibition of acetolactate synthase Ala-197/Ala-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 7710.0 nM 5.11 Inhibition of acetolactate synthase Ala-197/Ala-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 14090.0 nM 4.85 Inhibition of acetolactate synthase Ala-197/Ala-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 16930.0 nM 4.77 Inhibition of acetolactate synthase Leu-197/Leu-197 mutant in Lolium rigidum acc... -
Acetolactate synthase IC50 = 18600.0 nM 4.73 Inhibition of acetolactate synthase Ala-197/Ala-197 mutant in Lolium rigidum acc... -
Trypanosoma cruzi IC50 = 44970.0 nM 4.35 DNDI: Inhibition of Chagas Disease parasite Trypanosoma cruzi (Tulahuen LacZ, Cl... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.cropro.2012.03.002 Lolium rigidum 90
- 10.1016/j.cropro.2012.03.002 Acetolactate synthase 27
21717566 10.1002/ps.2231 Bifora radians 9
22431132 10.1002/ps.3278 Raphanus raphanistrum 9
21870840 10.1021/jf2025538 Root 5
21870840 10.1021/jf2025538 Leaf 4
22431132 10.1002/ps.3278 Acetolactate synthase 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
20384340 10.1021/jf100300a Brassica rapa subsp. oleifera 2
20384340 10.1021/jf100300a Echinochloa crus-galli 2
- 10.6019/CHEMBL1862790 Trypanosoma cruzi 2
21870840 10.1021/jf2025538 Pisum sativum 1
22431132 10.1002/ps.3278 Unchecked 1
23237384 10.1021/jm301501k Saccharomyces cerevisiae 1
23237384 10.1021/jm301501k Candida albicans 1
23237384 10.1021/jm301501k Acetolactate synthase catalytic subunit, mitochondrial 1
23237384 10.1021/jm301501k Unchecked 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.6019/CHEMBL1862790 L6 1

Data from ChEMBL 36 via Core Engine