Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5852104

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cn1cnc2cc(-c3ccc4c(c3)CC(CN)(c3cccc(-c5ncnc6[nH]ccc56)c3)C4)cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5852104
Phase Preclinical
Structure Type MOL
InChI Key IZCAVFLZTQTRMF-UHFFFAOYSA-N
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

471.6
MW (Da)
4.57
ALogP
6
HBA
2
HBD
98.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H25N7
MW 471.57
Aromatic Rings 6
Heavy Atoms 36
NP-Likeness -0.49

Activity Summary

IC50 9 meas. best 6.12

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
 IC50 6.12 6.12 750.0 3
Tyrosine-protein kinase receptor UFO
CHEMBL4895
 IC50 5.7 5.7 2000.0 3
Tyrosine-protein kinase Mer
CHEMBL5331
 IC50 5.7 5.7 2000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor TYRO3 IC50 = 750.0 nM 6.12 TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... -
Tyrosine-protein kinase receptor TYRO3 IC50 = 750.0 nM 6.12 Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2,... -
Tyrosine-protein kinase receptor TYRO3 IC50 = 750.0 nM 6.12 TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... -
Tyrosine-protein kinase Mer IC50 = 2000.0 nM 5.7 TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... -
Tyrosine-protein kinase receptor UFO IC50 = 2000.0 nM 5.7 TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... -
Tyrosine-protein kinase Mer IC50 = 2000.0 nM 5.7 Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2,... -
Tyrosine-protein kinase receptor UFO IC50 = 2000.0 nM 5.7 Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM MgCl2,... -
Tyrosine-protein kinase Mer IC50 = 2000.0 nM 5.7 TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... -
Tyrosine-protein kinase receptor UFO IC50 = 2000.0 nM 5.7 TAM Kinase Assay: The kinase assay buffer contained 50 mM HEPES, pH7.5, 10 mM Mg... -

Data from ChEMBL 36 via Core Engine