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Compound Detail

CHEMBL423102

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Cc1cc2c(c(C#N)c1C)NC(=O)CN=C2c1ccccc1F

Basic Information

ChEMBL ID CHEMBL423102
Phase Preclinical
Structure Type MOL
InChI Key GHJBINVHZPQQJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

307.3
MW (Da)
3.10
ALogP
3
HBA
1
HBD
65.2
PSA (Ų)
0.88
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 C18H14FN3O
MW 307.33
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.61

Activity Summary

IC50 1 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
IC50 11.0 11.0 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 0.01 nM 11.0 In vivo inhibition of Benzodiazepine (BDZ) binding in mice 6330354

Literature References

PubMed DOI Target Context # Activities
6330354 10.1021/jm00372a012 Mus musculus 8

Data from ChEMBL 36 via Core Engine