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

CHEMBL3905485

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
COc1cc(OC)cc(N(CCCN2CCCCC2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.Cl

Basic Information

ChEMBL ID CHEMBL3905485
Phase Preclinical
Structure Type MOL
InChI Key SIWFRERSMYFRNO-UHFFFAOYSA-N
Parent Compound CHEMBL3990209
Active Moiety CHEMBL3990209
5
Targets
8
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

500.6
MW (Da)
5.45
ALogP
8
HBA
0
HBD
68.5
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H37ClN6O2
MW 537.11
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.40

Activity Summary

IC50 8 meas. best 8.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.94 8.085 1.1 2
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.62 8.27 2.4 2
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.6 8.6 2.5 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.18 8.18 6.6 1
Vascular endothelial growth factor receptor 2
CHEMBL279
IC50 7.31 6.63 49.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine