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Compound Detail

CHEMBL4741505

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N[C@@H]1CN(c2nc3ccc(F)cc3n2Cc2ncc(F)cn2)CC[C@H]1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4741505
Phase Preclinical
Structure Type MOL
InChI Key DONHKZQWJGOSSY-CHWSQXEVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.03
ALogP
6
HBA
1
HBD
72.9
PSA (Ų)
0.77
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 C17H17F3N6
MW 362.36
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 9.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Short transient receptor potential channel 6
CHEMBL2417347
 IC50 9.7 9.7 0.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Short transient receptor potential channel 6 IC50 = 0.2 nM 9.7 Inhibition of human TRPC6 channel transfected in HEK293 cells assessed as intrac... 33738049

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