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Compound Detail

CHEMBL1605831

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CC(C)c1ccc(-c2cc(C(=O)O)[nH]n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1605831
Phase Preclinical
Structure Type MOL
InChI Key PCZGIQISGVTTCE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
2.90
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2O2
MW 230.27
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
26088336 10.1016/j.bmc.2015.05.052 Carbonic anhydrase 2 1
26088336 10.1016/j.bmc.2015.05.052 Carbonic anhydrase 1 1
26088336 10.1016/j.bmc.2015.05.052 Carbonic anhydrase 9 1
26088336 10.1016/j.bmc.2015.05.052 Carbonic anhydrase 12 1

Data from ChEMBL 36 via Core Engine