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

CHEMBL574581

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
O=c1n(O)ccn1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL574581
Phase Preclinical
Structure Type MOL
InChI Key KEOZDNMCRGLMHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

190.2
MW (Da)
0.94
ALogP
4
HBA
1
HBD
47.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10N2O2
MW 190.20
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -0.73

Literature References

PubMed DOI Target Context # Activities
19888756 10.1021/jm9012592 Unchecked 1
25271760 10.1021/jm500660f Isocitrate dehydrogenase [NADP] cytoplasmic 1

Data from ChEMBL 36 via Core Engine