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Compound Detail

CHEMBL5639295

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COc1cc(-c2nnn(CC(=O)N(C)c3ccc(F)cc3)n2)ccc1F

Basic Information

ChEMBL ID CHEMBL5639295
Phase Preclinical
Structure Type MOL
InChI Key KFPLLMPUAGAPHF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.3
MW (Da)
2.29
ALogP
6
HBA
0
HBD
73.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H15F2N5O2
MW 359.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.53

Activity Summary

EC50 1 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ryanodine receptor 2
CHEMBL4745
EC50 7.23 7.23 59.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ryanodine receptor 2 EC50 = 59.0 nM 7.23 Inhibition of Full length wild type mouse RyR2 expressed in Flp-In-T-REx-293 cel... 37922828

Literature References

PubMed DOI Target Context # Activities
37922828 10.1016/j.ejmech.2023.115910 Ryanodine receptor 2 1

Data from ChEMBL 36 via Core Engine