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Compound Detail

CHEMBL3891124

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O=C(O)c1cccnc1Oc1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3891124
Phase Preclinical
Structure Type MOL
InChI Key FVAZJGJEENAKRJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

249.7
MW (Da)
3.23
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H8ClNO3
MW 249.65
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.26

Literature References

PubMed DOI Target Context # Activities
27994748 10.1021/acsmedchemlett.6b00316 Molecular identity unknown 1
27994748 10.1021/acsmedchemlett.6b00316 U-937 1
27994748 10.1021/acsmedchemlett.6b00316 THP-1 1
27994748 10.1021/acsmedchemlett.6b00316 Dihydroorotate dehydrogenase (quinone), mitochondrial 1

Data from ChEMBL 36 via Core Engine