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Compound Detail

CHEMBL5871911

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Cn1cc(-c2cnc(Nc3cccc(C(F)(F)F)c3)nc2Nc2ccc3c(c2)CNCC3)cn1

Basic Information

ChEMBL ID CHEMBL5871911
Phase Preclinical
Structure Type MOL
InChI Key ZCQHFHLOBJGUQG-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

465.5
MW (Da)
5.03
ALogP
7
HBA
3
HBD
79.7
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22F3N7
MW 465.48
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.52

Activity Summary

IC50 3 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 8.8 8.8 1.6 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 5.9 5.9 1250.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.59 5.59 2560.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine