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

CHEMBL3918062

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(COC(C)C)c(CN4CCNCC4)n4ncnc(N)c34)sc12

Basic Information

ChEMBL ID CHEMBL3918062
Phase Preclinical
Structure Type MOL
InChI Key HOKFABUDYHGQKX-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

480.6
MW (Da)
3.84
ALogP
9
HBA
2
HBD
89.9
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H32N6O2S
MW 480.64
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -0.95

Activity Summary

IC50 2 meas. best 8.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 8.89 8.89 1.3 1
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 7.9 7.9 12.6 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine