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

CHEMBL5818859

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
CCCCNc1ncc2c(-c3ccc(Nc4ccccc4)cc3)cn(C3CCC(O)CC3)c2n1

Basic Information

ChEMBL ID CHEMBL5818859
Phase Preclinical
Structure Type MOL
InChI Key QZIANMAYEYYSQX-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.6
MW (Da)
6.53
ALogP
6
HBA
3
HBD
75.0
PSA (Ų)
0.26
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H33N5O
MW 455.61
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.67

Activity Summary

IC50 4 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase Mer
CHEMBL5331
IC50 7.1 7.1 80.0 1
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 6.66 6.66 220.0 1
Tyrosine-protein kinase receptor TYRO3
CHEMBL5314
IC50 5.97 5.97 1060.0 1
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 5.91 5.91 1230.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine