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Compound Detail

CHEMBL5401382

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[2H]C([2H])([2H])Oc1cccc(-c2ccc(N(C)C(=O)C3=C(C(=O)O)CCC3)c(F)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5401382
Phase Preclinical
Structure Type MOL
InChI Key SXRGLVLDPIXKOE-BMSJAHLVSA-N
Parent Compound CHEMBL5498548
Active Moiety CHEMBL5498548
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.03
ALogP
3
HBA
1
HBD
66.8
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20FNO4
MW 372.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
37127285 10.1021/acs.jmedchem.3c00415 Nuclear receptor subfamily 4 group A member 2 1
37127285 10.1021/acs.jmedchem.3c00415 Dihydroorotate dehydrogenase (quinone), mitochondrial 1

Data from ChEMBL 36 via Core Engine