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Compound Detail

CHEMBL2441383

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O=C(Nc1ccc2c(c1)B(O)OC2)c1ccccc1C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2441383
Phase Preclinical
Structure Type MOL
InChI Key YFIUIQDIYVFGFI-UHFFFAOYSA-N
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

321.1
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11BF3NO3
MW 321.06

Activity Summary

IC50 10 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma brucei brucei
CHEMBL612851
 IC50 6.96 6.8767 110.0 3
Trypanosoma brucei
CHEMBL612849
 IC50 6.82 6.73 150.0 2
Trypanosoma cruzi
CHEMBL368
 IC50 6.57 6.57 270.0 1
Leishmania infantum
CHEMBL612848
 IC50 5.85 5.85 1410.0 1
PBMC
CHEMBL613107
 IC50 5.68 5.3933 2100.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma brucei brucei IC50 = 110.0 nM 6.96 Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... 30647879
Trypanosoma brucei brucei IC50 = 140.0 nM 6.85 Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... 30647879
Trypanosoma brucei IC50 = 150.0 nM 6.82 AntiTrypanosoma brucei activity T. b. brucei IC50 (uM) -
Trypanosoma brucei brucei IC50 = 150.0 nM 6.82 Antitrypanosomal activity against Trypanosoma brucei brucei by pathogen box scre... 30647879
Trypanosoma brucei IC50 = 230.0 nM 6.64 AntiTrypanosoma brucei activity T. b. rhodesiense IC50 (uM) -
Trypanosoma cruzi IC50 = 270.0 nM 6.57 AntiTrypanosoma cruzi activity IC50 (uM) -
Leishmania infantum IC50 = 1410.0 nM 5.85 AntiLeishmania activity L. infantum (macrophages) IC50 (uM) -
PBMC IC50 = 2100.0 nM 5.68 Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced IL... 24075731
PBMC IC50 = 4400.0 nM 5.36 Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced IL... 24075731
PBMC IC50 = 7200.0 nM 5.14 Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... 24075731

Literature References

PubMed DOI Target Context # Activities
30647879 10.1039/C8MD00319J Trypanosoma brucei brucei 4
24075731 10.1016/j.bmcl.2013.08.096 PBMC 3
- 10.6019/CHEMBL3832761 Trypanosoma brucei 2
30647879 10.1039/C8MD00319J HeLa 1
- 10.6019/CHEMBL4513149 HEK293 1
- 10.6019/CHEMBL4513149 Erythrocyte 1
- 10.6019/CHEMBL4513149 Staphylococcus aureus 1
- 10.6019/CHEMBL4513149 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513149 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513149 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513149 Escherichia coli 1
- 10.6019/CHEMBL4513149 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513149 Candida albicans 1
- 10.6019/CHEMBL4513101 Naegleria gruberi 1
- 10.6019/CHEMBL3987221 Porphobilinogen deaminase 1
- 10.6019/CHEMBL3987221 Ferrochelatase, mitochondrial 1
- 10.6019/CHEMBL3832761 HepG2 1
- 10.6019/CHEMBL3832761 Leishmania infantum 1
- 10.6019/CHEMBL3832761 Trypanosoma cruzi 1
- 10.6019/CHEMBL3832761 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine