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Compound Detail

CHEMBL33211

ISOXEPAC
🧪 Phase II
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🧪 Phase II
O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2

Basic Information

ChEMBL ID CHEMBL33211
Name ISOXEPAC
Phase Phase II
Structure Type MOL
InChI Key QFGMXJOBTNZHEL-UHFFFAOYSA-N

Known Names

Artil HP 549 HP-549 Isoxepac Isoxepaco NSC-300907 Olopatadine related compound c P 720549 P-720549
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
15
Publications
9
Known Names

Molecular Properties

268.3
MW (Da)
2.44
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -ac
USAN Year 1977

Extended Properties

Molecular Formula C16H12O4
MW 268.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.14

Literature References

PubMed DOI Target Context # Activities
940112 10.1021/jm00229a017 Rattus norvegicus 8
833828 10.1021/jm00211a013 Rattus norvegicus 4
- 10.6019/CHEMBL4808148 Histone deacetylase 6 3
845879 10.1021/jm00213a028 Rattus norvegicus 2
833828 10.1021/jm00211a013 ADMET 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
8568814 10.1021/jm950563z Polyunsaturated fatty acid 5-lipoxygenase 1
8568814 10.1021/jm950563z Mus musculus 1
671462 10.1021/jm00205a008 Rattus norvegicus 1
845879 10.1021/jm00213a028 ADMET 1
833828 10.1021/jm00211a013 Mus musculus 1
915913 10.1021/jm00221a028 Rattus norvegicus 1
940112 10.1021/jm00229a017 Mus musculus 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1

Data from ChEMBL 36 via Core Engine