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Compound Detail

CHEMBL4565580

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CCCNc1nc(-c2c[nH]nc2C(F)(F)F)nc2cnccc12

Basic Information

ChEMBL ID CHEMBL4565580
Phase Preclinical
Structure Type MOL
InChI Key GTDNROOVOBKLDL-UHFFFAOYSA-N
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

322.3
MW (Da)
3.26
ALogP
5
HBA
2
HBD
79.4
PSA (Ų)
0.77
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 C14H13F3N6
MW 322.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.75

Activity Summary

IC50 6 meas. best 8.7
EC50 1 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase LATS1
CHEMBL6167
IC50 8.7 8.7 2.0 2
Serine/threonine-protein kinase LATS2
CHEMBL5907
IC50 7.82 7.82 15.0 2
Serine/threonine-protein kinase LATS
CHEMBL4523992
IC50 5.52 5.285 2990.0 2
Serine/threonine-protein kinase LATS
CHEMBL4523992
EC50 5.41 5.41 3880.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine