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Compound Detail

CHEMBL1389671

FLUMETSULAM
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Cc1ccn2nc(S(=O)(=O)Nc3c(F)cccc3F)nc2n1

Basic Information

ChEMBL ID CHEMBL1389671
Name FLUMETSULAM
Phase Preclinical
Structure Type MOL
InChI Key RXCPQSJAVKGONC-UHFFFAOYSA-N
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

325.3
MW (Da)
1.51
ALogP
6
HBA
1
HBD
89.2
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9F2N5O2S
MW 325.30
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.06

Activity Summary

IC50 6 meas. best 7.5
Ki 1 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Acetolactate synthase
CHEMBL2366415
IC50 7.5 6.765 31.6 2
Acetolactate synthase, chloroplastic
CHEMBL4263
Ki 6.44 6.44 360.0 1
Acetolactate synthase
CHEMBL2366443
IC50 5.78 5.78 1658.0 2
Unchecked
CHEMBL612545
IC50 5.16 5.09 6950.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22431132 10.1002/ps.3278 Raphanus raphanistrum 4
20598554 10.1016/j.bmc.2010.06.015 Rumex acetosa 3
22431132 10.1002/ps.3278 Acetolactate synthase 3
20598554 10.1016/j.bmc.2010.06.015 Galium aparine 3
20598554 10.1016/j.bmc.2010.06.015 Polygonum humifusum 3
20598554 10.1016/j.bmc.2010.06.015 Cerastium arvense 3
20598554 10.1016/j.bmc.2010.06.015 Cyperus iria 3
20598554 10.1016/j.bmc.2010.06.015 Chenopodium album 3
20598554 10.1016/j.bmc.2010.06.015 Amaranthus retroflexus 3
20598554 10.1016/j.bmc.2010.06.015 Eclipta prostrata 3
10329466 10.1006/bbrc.1999.0708 Acetolactate synthase 2
20598554 10.1016/j.bmc.2010.06.015 Brassica juncea 1
20598554 10.1016/j.bmc.2010.06.015 Poa annua 1
20598554 10.1016/j.bmc.2010.06.015 Digitaria sanguinalis 1
20598554 10.1016/j.bmc.2010.06.015 Echinochloa crus-galli 1
20598554 10.1016/j.bmc.2010.06.015 Acetolactate synthase, chloroplastic 1
22431132 10.1002/ps.3278 Unchecked 1

Data from ChEMBL 36 via Core Engine