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

CHEMBL309439

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
COc1cc2ncc(C#N)c(NCc3ccc(OC)c(OC)c3OC)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL309439
Phase Preclinical
Structure Type MOL
InChI Key ZDMBZVNYCRFBFZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.4
MW (Da)
3.76
ALogP
8
HBA
1
HBD
94.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23N3O5
MW 409.44
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.71

Literature References

PubMed DOI Target Context # Activities
11078204 10.1016/s0960-894x(00)00493-5 Proto-oncogene tyrosine-protein kinase Src 1

Data from ChEMBL 36 via Core Engine