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Compound Detail

CHEMBL1161636

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ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1161636
Phase Preclinical
Structure Type MOL
InChI Key ICIWUVCWSCSTAQ-UHFFFAOYSA-N
0
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

175.9
MW (Da)
-5.93
ALogP
3
HBA
1
HBD
66.3
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula HIO3
MW 175.91
Aromatic Rings 0
Heavy Atoms 4
NP-Likeness -0.02

Activity Summary

Ki 5 meas.

Literature References

PubMed DOI Target Context # Activities
15664814 10.1016/j.bmcl.2004.11.056 Carbonic anhydrase 1 1
15664814 10.1016/j.bmcl.2004.11.056 Carbonic anhydrase 2 1
15664814 10.1016/j.bmcl.2004.11.056 Carbonic anhydrase 4 1
15664814 10.1016/j.bmcl.2004.11.056 Carbonic anhydrase 5A, mitochondrial 1
15664814 10.1016/j.bmcl.2004.11.056 Carbonic anhydrase 9 1

Data from ChEMBL 36 via Core Engine