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Compound Detail

CHEMBL5741930

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CCCn1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2Nc2ccc3c(c2)CNCC3)cn1

Basic Information

ChEMBL ID CHEMBL5741930
Phase Preclinical
Structure Type MOL
InChI Key DYTOVPQOWGLXKV-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

494.4
MW (Da)
6.19
ALogP
7
HBA
3
HBD
79.7
PSA (Ų)
0.28
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25Cl2N7
MW 494.43
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.43

Activity Summary

IC50 3 meas. best 10.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 10.92 10.92 0.0 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.82 6.82 150.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 6.0 6.0 990.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine