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

CHEMBL1271641

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
Oc1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1271641
Phase Preclinical
Structure Type MOL
InChI Key XGLLCMUCSWPKPD-UHFFFAOYSA-N
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
3.19
ALogP
8
HBA
2
HBD
92.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24N4O4
MW 432.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.07

Activity Summary

IC50 9 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
 IC50 9.0 9.0 1.0 1
Vascular endothelial growth factor receptor 2
CHEMBL279
 IC50 9.0 9.0 1.0 1
Vascular endothelial growth factor receptor 1
CHEMBL1868
 IC50 8.7 8.7 2.0 1
Tyrosine-protein kinase Lck
CHEMBL258
 IC50 7.7 7.7 20.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 7.02 7.02 96.0 1
Ribosomal protein S6 kinase alpha-1
CHEMBL2553
 IC50 6.25 6.25 560.0 1
Ephrin type-A receptor 2
CHEMBL2068
 IC50 6.13 6.13 740.0 1
MAP kinase-interacting serine/threonine-protein kinase 1
CHEMBL4718
 IC50 6.02 6.02 950.0 1
AMP-activated protein kinase, AMPK
CHEMBL2096907
 IC50 5.96 5.96 1100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Receptor-type tyrosine-protein kinase FLT3 IC50 = 1.0 nM 9.0 Inhibition of FLT3 by Hot Spot filtration binding assay 20932747
Vascular endothelial growth factor receptor 2 IC50 = 1.0 nM 9.0 Inhibition of KDR by Hot Spot filtration binding assay 20932747
Vascular endothelial growth factor receptor 1 IC50 = 2.0 nM 8.7 Inhibition of FLT1 by Hot Spot filtration binding assay 20932747
Tyrosine-protein kinase Lck IC50 = 20.0 nM 7.7 Inhibition of LCK by Hot Spot filtration binding assay 20932747
Proto-oncogene tyrosine-protein kinase Src IC50 = 96.0 nM 7.02 Inhibition of c-SRC by Hot Spot filtration binding assay 20932747
Ribosomal protein S6 kinase alpha-1 IC50 = 560.0 nM 6.25 Inhibition of RSK1 by Hot Spot filtration binding assay 20932747
Ephrin type-A receptor 2 IC50 = 740.0 nM 6.13 Inhibition of EphA2 by Hot Spot filtration binding assay 20932747
MAP kinase-interacting serine/threonine-protein kinase 1 IC50 = 950.0 nM 6.02 Inhibition of MNK1 by Hot Spot filtration binding assay 20932747
AMP-activated protein kinase, AMPK IC50 = 1100.0 nM 5.96 Inhibition of human AMPK alpha-2/beta-1/gamma-1 by Hot Spot filtration binding a... 20932747

Literature References

PubMed DOI Target Context # Activities
20932747 10.1016/j.bmcl.2010.09.088 AMP-activated protein kinase, AMPK 1
20932747 10.1016/j.bmcl.2010.09.088 Proto-oncogene tyrosine-protein kinase Src 1
20932747 10.1016/j.bmcl.2010.09.088 Ephrin type-A receptor 2 1
20932747 10.1016/j.bmcl.2010.09.088 Vascular endothelial growth factor receptor 1 1
20932747 10.1016/j.bmcl.2010.09.088 Receptor-type tyrosine-protein kinase FLT3 1
20932747 10.1016/j.bmcl.2010.09.088 Vascular endothelial growth factor receptor 2 1
20932747 10.1016/j.bmcl.2010.09.088 Tyrosine-protein kinase Lck 1
20932747 10.1016/j.bmcl.2010.09.088 MAP kinase-interacting serine/threonine-protein kinase 1 1
20932747 10.1016/j.bmcl.2010.09.088 Ribosomal protein S6 kinase alpha-1 1

Data from ChEMBL 36 via Core Engine