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Compound Detail

CHEMBL4449622

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Cn1nc(O)c(C(N)=O)c1COc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4449622
Phase Preclinical
Structure Type MOL
InChI Key AQBWQUGKNGINFQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
0.80
ALogP
5
HBA
2
HBD
90.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H13N3O3
MW 247.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
30529545 10.1016/j.ejmech.2018.11.044 COS-7 1
30529545 10.1016/j.ejmech.2018.11.044 Plasmodium falciparum 1
30529545 10.1016/j.ejmech.2018.11.044 Unchecked 1
30529545 10.1016/j.ejmech.2018.11.044 Dihydroorotate dehydrogenase (quinone), mitochondrial 1
30529545 10.1016/j.ejmech.2018.11.044 Dihydroorotate dehydrogenase 1

Data from ChEMBL 36 via Core Engine