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Compound Detail

CHEMBL1229780

TRIBENURON METHYL
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COC(=O)c1ccccc1S(=O)(=O)NC(=O)N(C)c1nc(C)nc(OC)n1

Basic Information

ChEMBL ID CHEMBL1229780
Name TRIBENURON METHYL
Phase Preclinical
Structure Type MOL
InChI Key VLCQZHSMCYCDJL-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
0.51
ALogP
9
HBA
1
HBD
140.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H17N5O6S
MW 395.40
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.32

Activity Summary

Ki 3 meas. best 6.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetolactate synthase, chloroplastic
CHEMBL4263
Ki 6.6 6.6 253.0 1
Acetolactate synthase catalytic subunit, mitochondrial
CHEMBL1075095
Ki 6.4 6.4 400.0 1
Unchecked
CHEMBL612545
Ki 5.79 5.79 1637.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21717566 10.1002/ps.2231 Bifora radians 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
19117417 10.1021/jf802649w Amaranthus tricolor 1
16407096 10.1073/pnas.0508701103 Acetolactate synthase, chloroplastic 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

Data from ChEMBL 36 via Core Engine