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Compound Detail

CHEMBL3922825

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FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ccncc6)cc5C43)[nH]c2c1

Basic Information

ChEMBL ID CHEMBL3922825
Phase Preclinical
Structure Type MOL
InChI Key MQIILRMBQJPTPO-UHFFFAOYSA-N
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
5.41
ALogP
4
HBA
1
HBD
60.0
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H14F3N3O2
MW 409.37
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.54

Activity Summary

IC50 6 meas. best 7.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAF proto-oncogene serine/threonine-protein kinase
CHEMBL1906
IC50 7.07 7.07 86.0 1
Unchecked
CHEMBL612545
IC50 7.07 7.07 86.0 2
Serine/threonine-protein kinase B-raf
CHEMBL5145
IC50 6.29 6.29 518.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine