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Compound Detail

CHEMBL1362

FLUORIDE ION
🧪 Phase III
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🧪 Phase III

Basic Information

ChEMBL ID CHEMBL1362
Name FLUORIDE ION
Phase Phase III
Structure Type MOL
InChI Key KRHYYFGTRYWZRS-UHFFFAOYSA-M

Known Names

Fluoride ion
2
Targets
19
Activities
1
Assay Types
0
PK Parameters
20
Publications
1
Known Names

Molecular Properties

19.0
MW (Da)
-3.00
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula F-
MW 19.00
Aromatic Rings 0
Heavy Atoms 1

Activity Summary

Ki 19 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 4
CHEMBL3729
 Ki 4.16 4.16 70000.0 1
Carbonic anhydrase 13
CHEMBL2186
 Ki 2.52 2.52 3000000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 4 Ki = 70000.0 nM 4.16 Inhibition constant of anion against human carbonic anhydrase isozyme hCA IV 15501038
Carbonic anhydrase 13 Ki = 3000000.0 nM 2.52 Inhibitory activity against mouse carbonic anhydrase XIII expressed in Escherich... 15454240

Literature References

PubMed DOI Target Context # Activities
27283786 10.1016/j.bmc.2016.05.029 Unchecked 4
23078755 10.1016/j.bmc.2012.09.047 Unchecked 3
26853167 10.1016/j.bmcl.2016.01.072 Unchecked 2
15357993 10.1016/j.bmcl.2004.06.073 Carbonic anhydrase 2
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase V 1
21208801 10.1016/j.bmcl.2010.11.124 Alpha carbonic anhydrase 1
27283786 10.1016/j.bmc.2016.05.029 Carbonic anhydrase 1 1
21208801 10.1016/j.bmcl.2010.11.124 Carbonic anhydrase 2 1
21208801 10.1016/j.bmcl.2010.11.124 Carbonic anhydrase 1 1
16621537 10.1016/j.bmcl.2006.03.078 Carbonic anhydrase 7 1
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase 1 1
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase 9 1
15357993 10.1016/j.bmcl.2004.06.073 Carbonic anhydrase 1 1
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase 4 1
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase 2 1
15454240 10.1016/j.bmcl.2004.07.086 Carbonic anhydrase 13 1
15454240 10.1016/j.bmcl.2004.07.086 Carbonic anhydrase V 1
15454240 10.1016/j.bmcl.2004.07.086 Carbonic anhydrase 2 1
15454240 10.1016/j.bmcl.2004.07.086 Carbonic anhydrase 1 1
15357993 10.1016/j.bmcl.2004.06.073 Carbonic anhydrase 4 1

Data from ChEMBL 36 via Core Engine