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

CHEMBL1641776

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
COc1cccc(Nc2ncnc3cc(OC)c(OC)cc23)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1641776
Phase Preclinical
Structure Type MOL
InChI Key KFEQYLHOIUVKQD-UHFFFAOYSA-N
Parent Compound CHEMBL169473
Active Moiety CHEMBL169473
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
3.40
ALogP
6
HBA
1
HBD
65.5
PSA (Ų)
0.78
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 C17H18ClN3O3
MW 347.80
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.97

Literature References

PubMed DOI Target Context # Activities
21185195 10.1016/j.bmc.2010.11.057 Tyrosine-protein kinase JAK2 1
21185195 10.1016/j.bmc.2010.11.057 SK-OV-3 1
21185195 10.1016/j.bmc.2010.11.057 HeLa 1
21185195 10.1016/j.bmc.2010.11.057 HT-29 1

Data from ChEMBL 36 via Core Engine