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Compound Detail

CHEMBL4846928

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

Basic Information

ChEMBL ID CHEMBL4846928
Phase Preclinical
Structure Type MOL
InChI Key NTNGDXCIKJSCHZ-UGHVFFQZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.55
ALogP
5
HBA
2
HBD
85.9
PSA (Ų)
0.62
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 C20H18N2O5
MW 366.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.24

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