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Compound Detail

CHEMBL4869758

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O=C(N/C=C/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4869758
Phase Preclinical
Structure Type MOL
InChI Key VYZVVTOUXGSFKX-IGAJHJTCSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

470.5
MW (Da)
4.02
ALogP
7
HBA
3
HBD
118.7
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N4O5S2
MW 470.53
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.15

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