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

CHEMBL63529

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(Nc2ncc(-c3ccccc3)o2)ccc1-c1cocn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL63529
Phase Preclinical
Structure Type MOL
InChI Key VCLJIBLXBDLRSY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

333.4
MW (Da)
4.75
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.57
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 C19H15N3O3
MW 333.35
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.62

Literature References

PubMed DOI Target Context # Activities
12781195 10.1016/s0960-894x(03)00258-0 Inosine-5'-monophosphate dehydrogenase 2 1
12781195 10.1016/s0960-894x(03)00258-0 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine