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Compound Detail

CHEMBL191978

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O=c1[nH]c2ccc(Cl)cc2n2c(=O)c(-c3ccc(F)cc3)nn12

Basic Information

ChEMBL ID CHEMBL191978
Phase Preclinical
Structure Type MOL
InChI Key UEWSJGMYAPQKKT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

330.7
MW (Da)
2.10
ALogP
5
HBA
1
HBD
71.6
PSA (Ų)
0.58
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 C15H8ClFN4O2
MW 330.71
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.33

Activity Summary

Ki 1 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
GABA-A receptor; anion channel
CHEMBL2093872
Ki 7.25 7.25 56.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15828832 10.1021/jm0408722 GABA-A receptor; anion channel 1

Data from ChEMBL 36 via Core Engine