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Compound Detail

CHEMBL38997

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COC(=O)c1ccc2nc(-c3ccc(-c4ccccc4)cc3)c(C)c(C(=O)O)c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL38997
Phase Preclinical
Structure Type MOL
InChI Key AEJUDOWJKXCECW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

397.4
MW (Da)
5.36
ALogP
4
HBA
1
HBD
76.5
PSA (Ų)
0.47
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H19NO4
MW 397.43
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.47

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00252-O Dihydroorotate dehydrogenase (quinone), mitochondrial 1
- 10.1016/0960-894X(95)00252-O ADMET 1

Data from ChEMBL 36 via Core Engine