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

CHEMBL3901420

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
CNC(=O)c1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C(C)C)c4)nc3c2)c1

Basic Information

ChEMBL ID CHEMBL3901420
Phase Preclinical
Structure Type MOL
InChI Key RGYNBLDJVUWGQS-UHFFFAOYSA-N
6
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
4.58
ALogP
8
HBA
2
HBD
97.2
PSA (Ų)
0.33
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H35N7O2
MW 501.64
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.40

Activity Summary

IC50 9 meas. best 8.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.13 8.13 7.4 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.1 8.05 7.9 2
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.08 7.895 8.3 2
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.55 7.55 28.2 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.46 7.2 34.7 2
Receptor-type tyrosine-protein kinase FLT3
CHEMBL1974
IC50 5.68 5.68 2089.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine