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

CHEMBL3929808

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(CO)c(CN4CCNCC4)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3929808
Phase Preclinical
Structure Type MOL
InChI Key NVVLHTUQGYXRPA-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
2.41
ALogP
9
HBA
3
HBD
100.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H26N6O2S
MW 438.56
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.69

Activity Summary

IC50 2 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.48 8.48 3.3 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.85 7.85 14.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine