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Compound Detail

CHEMBL4440525

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O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440525
Phase Preclinical
Structure Type MOL
InChI Key BOPRPCFRHRVLGG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

354.8
MW (Da)
4.20
ALogP
4
HBA
0
HBD
56.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15ClO4
MW 354.79
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
31387062 10.1016/j.ejmech.2019.111565 Carbonic anhydrase 1 1
31387062 10.1016/j.ejmech.2019.111565 Carbonic anhydrase 2 1
31387062 10.1016/j.ejmech.2019.111565 Carbonic anhydrase 5A, mitochondrial 1

Data from ChEMBL 36 via Core Engine