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

CHEMBL3929322

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(C)cc2cc(-c3c(CNC(C)=O)c(CNC(C)=O)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3929322
Phase Preclinical
Structure Type MOL
InChI Key LNCJTAGAWGYDHX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

452.5
MW (Da)
2.78
ALogP
8
HBA
3
HBD
123.6
PSA (Ų)
0.41
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 C22H24N6O3S
MW 452.54
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.73

Activity Summary

IC50 2 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 9.15 9.15 0.7 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.85 8.85 1.4 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine