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

CHEMBL3918638

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
[2H]C([2H])([2H])Oc1cc(OC([2H])([2H])[2H])cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C([2H])([2H])C([2H])([2H])NC(C)C)c1

Basic Information

ChEMBL ID CHEMBL3918638
Phase Preclinical
Structure Type MOL
InChI Key OLAHOMJCDNXHFI-RCEBUFFYSA-N
Parent Compound CHEMBL3545376
Active Moiety CHEMBL3545376
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
4.18
ALogP
8
HBA
1
HBD
77.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H30N6O2
MW 456.62
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.30

Activity Summary

IC50 9 meas. best 9.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 9.34 8.575 0.5 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.76 8.76 1.7 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.55 7.87 2.8 2
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.21 8.21 6.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.63 6.835 23.4 2
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.1 5.1 7943.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine