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Compound Detail

CHEMBL5779005

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Cn1cc(-c2cnc(NCc3cccc(C(F)(F)F)c3)nc2NC2CCCCC2)cn1

Basic Information

ChEMBL ID CHEMBL5779005
Phase Preclinical
Structure Type MOL
InChI Key CDNSOMCMTZMHON-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
5.25
ALogP
6
HBA
2
HBD
67.7
PSA (Ų)
0.56
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H25F3N6
MW 430.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.74

Activity Summary

IC50 3 meas. best 7.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 7.07 7.07 85.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.28 6.28 530.0 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 6.21 6.21 610.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine