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Compound Detail

CHEMBL4470844

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C[C@](O)(CNc1cc(-c2ccncc2)nc2cnccc12)C(F)(F)F

Basic Information

ChEMBL ID CHEMBL4470844
Phase Preclinical
Structure Type MOL
InChI Key UVTAWSPFRLIBMN-INIZCTEOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

348.3
MW (Da)
3.42
ALogP
5
HBA
2
HBD
70.9
PSA (Ų)
0.76
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 C17H15F3N4O
MW 348.33
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.78

Activity Summary

IC50 2 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
IC50 6.9 6.9 125.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine