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Compound Detail

CHEMBL4763819

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Cc1cccc(-c2noc([C@@H](C)NC(=O)c3cc(C4CC4)nn3C)n2)c1

Basic Information

ChEMBL ID CHEMBL4763819
Phase Preclinical
Structure Type MOL
InChI Key CLINQEGUIZAEPS-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.15
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N5O2
MW 351.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.19

Activity Summary

IC50 1 meas. best 5.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium channel subfamily T member 1
CHEMBL4739688
IC50 5.48 5.48 3314.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33859800 10.1021/acsmedchemlett.0c00675 Potassium channel subfamily T member 1 1

Data from ChEMBL 36 via Core Engine