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Compound Detail

CHEMBL6024610

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Cn1nnc2ncn(Cc3nc([C@@H]4CO[C@@H](c5ccc(F)cc5)C4)no3)c(=O)c21

Basic Information

ChEMBL ID CHEMBL6024610
Phase Preclinical
Structure Type MOL
InChI Key AMABIFVVCZYKIM-WCQYABFASA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
1.34
ALogP
10
HBA
0
HBD
113.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16FN7O3
MW 397.37
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.59

Activity Summary

IC50 2 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily A member 1
CHEMBL6007
IC50 8.47 8.295 3.4 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine