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Compound Detail

CHEMBL5745182

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Cn1cc(-c2cnc(Nc3cc(F)cc(F)c3)nc2Nc2ccc3c(c2)CNCC3)cn1

Basic Information

ChEMBL ID CHEMBL5745182
Phase Preclinical
Structure Type MOL
InChI Key GDKUSUOIODZPAK-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
4.29
ALogP
7
HBA
3
HBD
79.7
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21F2N7
MW 433.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.48

Activity Summary

IC50 3 meas. best 10.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 10.01 10.01 0.1 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 9.11 9.11 0.8 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 7.37 7.37 43.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine