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Compound Detail

CHEMBL6052995

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CCCn1cc(-c2cnc(Nc3cccc(Cl)c3)nc2Nc2ccc3c(c2)CNCC3)cn1

Basic Information

ChEMBL ID CHEMBL6052995
Phase Preclinical
Structure Type MOL
InChI Key RFMIJZBBECZAQC-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.0
MW (Da)
5.54
ALogP
7
HBA
3
HBD
79.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26ClN7
MW 459.99
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.51

Activity Summary

IC50 3 meas. best 9.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 9.57 9.57 0.3 1
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 6.02 6.02 960.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.96 5.96 1110.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine