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Compound Detail

CHEMBL4872991

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CC(=O)c1ccc(NC(=O)N/C=C/C=C/c2ccc3c(c2)OCO3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872991
Phase Preclinical
Structure Type MOL
InChI Key CAFYZPNPOKGCIR-UGHVFFQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
3.97
ALogP
4
HBA
2
HBD
76.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N2O4
MW 350.37
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.29

Literature References

PubMed DOI Target Context # Activities
34482273 10.1016/j.ejmech.2021.113800 Carbonic anhydrase 1 1
34482273 10.1016/j.ejmech.2021.113800 Carbonic anhydrase 2 1
34482273 10.1016/j.ejmech.2021.113800 Carbonic anhydrase 9 1
34482273 10.1016/j.ejmech.2021.113800 Carbonic anhydrase 12 1

Data from ChEMBL 36 via Core Engine