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Compound Detail

CHEMBL3637908

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CC(=O)N(CCN(C(=O)c1ccc(F)cc1)c1ccccc1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3637908
Phase Preclinical
Structure Type MOL
InChI Key HFGSVASEWGWQNS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.53
ALogP
2
HBA
0
HBD
40.6
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21FN2O2
MW 376.43
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 5.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Onchocerca volvulus
CHEMBL613142
 IC50 5.5 5.5 3130.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Onchocerca volvulus IC50 = 3130.0 nM 5.5 AntiOnchocerca activity O. volvulus L3 Molting assay: IC50 (uM) -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3832761 Onchocerca gutturosa 2
- 10.6019/CHEMBL3832761 Onchocerca ochengi 2
- 10.6019/CHEMBL3832761 Onchocerca volvulus 2
- 10.6019/CHEMBL3987221 Porphobilinogen deaminase 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/CHEMBL3832761 NON-PROTEIN TARGET 1
- 10.6019/CHEMBL3987221 Ferrochelatase, mitochondrial 1
- 10.6019/CHEMBL3832761 HepG2 1
- 10.6019/CHEMBL3832761 Onchocerca lienalis 1
- 10.6019/CHEMBL3832761 Brugia pahangi 1

Data from ChEMBL 36 via Core Engine