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Compound Detail

CHEMBL4569109

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Cn1nc(OCC2CC2)c(C(=O)O)c1COc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4569109
Phase Preclinical
Structure Type MOL
InChI Key CRZPSCCTCRYCQI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

302.3
MW (Da)
2.49
ALogP
5
HBA
1
HBD
73.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N2O4
MW 302.33
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.82

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