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

CHEMBL3929756

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
NCC(c1ccc(Cl)c(F)c1)N1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1

Basic Information

ChEMBL ID CHEMBL3929756
Phase Preclinical
Structure Type MOL
InChI Key JNCDNFPUXLKIJP-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.9
MW (Da)
3.48
ALogP
6
HBA
2
HBD
84.3
PSA (Ų)
0.63
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 C22H23ClF2N6
MW 444.92
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.44

Activity Summary

IC50 3 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase beta-1
CHEMBL4501
IC50 9.05 9.05 0.9 2
Unchecked
CHEMBL612545
IC50 9.05 9.05 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine