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Compound Detail

CHEMBL344430

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O=C1c2ccccc2C(Cc2ccncc2)(Cc2ccnc(F)c2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL344430
Phase Preclinical
Structure Type MOL
InChI Key MOSJFJVURUGZBN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

394.4
MW (Da)
4.93
ALogP
3
HBA
0
HBD
42.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19FN2O
MW 394.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.15

Activity Summary

EC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
EC50 6.39 6.39 410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus EC50 = 410.0 nM 6.39 Compound was tested in vitro for its ability to enhance the K+-stimulated releas... 9804701

Literature References

PubMed DOI Target Context # Activities
9804701 10.1021/jm9803424 Rattus norvegicus 3

Data from ChEMBL 36 via Core Engine