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

CHEMBL3310947

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(/C=N/Nc2nncc3ccccc23)cc(O)c1O.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3310947
Phase Preclinical
Structure Type MOL
InChI Key BPBIKQMJZNIYQV-XIDBHWPPSA-N
Parent Compound CHEMBL3545482
Active Moiety CHEMBL3545482
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.3
MW (Da)
2.50
ALogP
7
HBA
3
HBD
99.9
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15ClN4O3
MW 346.77
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.70

Literature References

PubMed DOI Target Context # Activities
24924425 10.1016/j.bmc.2014.05.034 No relevant target 4
24924425 10.1016/j.bmc.2014.05.034 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine