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Compound Detail

CHEMBL380879

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O=C1c2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2CC1(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL380879
Phase Preclinical
Structure Type MOL
InChI Key XXLAPCKGFIGLJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

371.1
MW (Da)
4.57
ALogP
3
HBA
0
HBD
34.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H5Cl2F5N2O
MW 371.09
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
16386419 10.1016/j.bmcl.2005.12.012 Ctenocephalides felis 2
16386419 10.1016/j.bmcl.2005.12.012 GABA receptor subunit 1
16386419 10.1016/j.bmcl.2005.12.012 Unchecked 1
16386419 10.1016/j.bmcl.2005.12.012 GABA-A receptor; anion channel 1
16386419 10.1016/j.bmcl.2005.12.012 Musca domestica 1

Data from ChEMBL 36 via Core Engine