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Compound Detail

CHEMBL356763

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O=C1N(c2ccccc2)c2ccccc2C1(Cc1ccncc1)Cc1ccnc(F)c1

Basic Information

ChEMBL ID CHEMBL356763
Phase Preclinical
Structure Type MOL
InChI Key QJFWYPLAZRLAIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.5
MW (Da)
5.02
ALogP
3
HBA
0
HBD
46.1
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H20FN3O
MW 409.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.56

Activity Summary

EC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
EC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus EC50 = 10000.0 nM 5.0 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