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Compound Detail

CHEMBL5079766

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Cc1cn(-c2nc(C)cc(Nc3cc(Cl)ccc3F)n2)cn1

Basic Information

ChEMBL ID CHEMBL5079766
Phase Preclinical
Structure Type MOL
InChI Key BBLPXMBZNANAIT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

317.8
MW (Da)
3.82
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13ClFN5
MW 317.75
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -2.05

Activity Summary

EC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Small conductance calcium-activated potassium channel protein 2
CHEMBL2547
EC50 5.35 5.35 4510.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34962403 10.1021/acs.jmedchem.1c01473 Small conductance calcium-activated potassium channel protein 2 1

Data from ChEMBL 36 via Core Engine