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

CHEMBL1784582

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
Cc1cc(NC2CC2)n2ncnc2n1

Basic Information

ChEMBL ID CHEMBL1784582
Phase Preclinical
Structure Type MOL
InChI Key VTIPUIBERMOAOI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

189.2
MW (Da)
1.01
ALogP
5
HBA
1
HBD
55.1
PSA (Ų)
0.77
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 C9H11N5
MW 189.22
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.63

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3988442 Unchecked 3
- 10.6019/CHEMBL4513160 Pseudomonas aeruginosa 2
21517059 10.1021/jm200265b Dihydroorotate dehydrogenase 1
21517059 10.1021/jm200265b Unchecked 1
21517059 10.1021/jm200265b Dihydroorotate dehydrogenase (quinone), mitochondrial 1
21517059 10.1021/jm200265b Plasmodium falciparum 1
- 10.6019/CHEMBL4513160 Acinetobacter baumannii 1

Data from ChEMBL 36 via Core Engine