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Compound Detail

CHEMBL4776935

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COc1cc(F)c2nc(N3CC[C@@H](F)[C@H](N)C3)n(Cc3ncc(Cl)cn3)c2c1

Basic Information

ChEMBL ID CHEMBL4776935
Phase Preclinical
Structure Type MOL
InChI Key LAVRDVHZGGEPJZ-TZMCWYRMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.8
MW (Da)
2.55
ALogP
7
HBA
1
HBD
82.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19ClF2N6O
MW 408.84
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Short transient receptor potential channel 6
CHEMBL2417347
IC50 9.4 9.4 0.4 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