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

CHEMBL379146

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
Cl.Cn1c(O)c(C2=Nc3ccccc3/C2=N\OCCN2CCOCC2)c2cccc(Br)c21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL379146
Phase Preclinical
Structure Type MOL
InChI Key VGCQODVYFFDFBX-ZFUDNRMFSA-N
Parent Compound CHEMBL426693
Active Moiety CHEMBL426693
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
3.83
ALogP
7
HBA
1
HBD
71.6
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 C23H24BrClN4O3
MW 519.83
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
16854069 10.1021/jm060314i SH-SY5Y 1
16854069 10.1021/jm060314i Glycogen synthase kinase-3 1
16854069 10.1021/jm060314i Cyclin-dependent kinase 5/CDK5 activator 1 1
16854069 10.1021/jm060314i Unchecked 1

Data from ChEMBL 36 via Core Engine