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Compound Detail

CHEMBL4752852

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N[C@@H]1CN(c2nc3cc(F)ccc3n2Cc2ccc(Cl)cn2)CCC1(F)F

Basic Information

ChEMBL ID CHEMBL4752852
Phase Preclinical
Structure Type MOL
InChI Key NTBGMDVYEDDYJR-MRXNPFEDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.8
MW (Da)
3.44
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.74
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 C18H17ClF3N5
MW 395.82
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.74

Activity Summary

IC50 1 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Short transient receptor potential channel 6
CHEMBL2417347
IC50 9.52 9.52 0.3 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