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Compound Detail

CHEMBL4764496

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Cc1ccc(Cn2c(N3CC[C@@H](F)[C@H](N)C3)nc3cc(F)c(F)cc32)nc1

Basic Information

ChEMBL ID CHEMBL4764496
Phase Preclinical
Structure Type MOL
InChI Key XQBAPJWYRODRGP-CZUORRHYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.4
MW (Da)
2.94
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.76
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 C19H20F3N5
MW 375.40
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.54

Activity Summary

IC50 1 meas. best 10.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Short transient receptor potential channel 6
CHEMBL2417347
IC50 10.0 10.0 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
33738049 10.1021/acsmedchemlett.1c00056 Short transient receptor potential channel 6 1

Data from ChEMBL 36 via Core Engine