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Compound Detail

CHEMBL1450580

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Cc1cc(C)cc(N2CC(C(=O)O)CC2=O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1450580
Phase Preclinical
Structure Type MOL
InChI Key ZVYUEYJQRCOJDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

233.3
MW (Da)
1.74
ALogP
2
HBA
1
HBD
57.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H15NO3
MW 233.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 2 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 1 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 4 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 3 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 5A, mitochondrial 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 5B, mitochondrial 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 6 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 7 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 9 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 12 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 13 1
30553625 10.1016/j.bmc.2018.12.011 Carbonic anhydrase 14 1

Data from ChEMBL 36 via Core Engine