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Compound Detail

CHEMBL1231821

HYDROCHLORIC ACID
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Basic Information

ChEMBL ID CHEMBL1231821
Name HYDROCHLORIC ACID
Phase Preclinical
Structure Type MOL
InChI Key VEXZGXHMUGYJMC-UHFFFAOYSA-N

Known Names

Acidum hydrochloricum Acidum hydrochloricum dilutum Anhydrous hydrochloric acid Baume hcl Dilute hydrochloric acid Diluted hydrochloric acid E-507 E507 Enplate po 236 Hydrochloric acid Hydrochloric acid, diluted Hydrogen chloride +6 more
2
Targets
42
Activities
1
Assay Types
0
PK Parameters
20
Publications
18
Known Names

Molecular Properties

36.5
MW (Da)
0.42
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula HCl
MW 36.46
Aromatic Rings 0
Heavy Atoms 1

ATC Classification

A09AB03
hydrochloric acid
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DIGESTIVES, INCL. ENZYMES
B05XA13
hydrochloric acid
Level 1: BLOOD AND BLOOD FORMING ORGANS
Level 2: BLOOD SUBSTITUTES AND PERFUSION SOLUTIONS

Activity Summary

Ki 42 meas. best 6.81

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase V
CHEMBL2111457
 Ki 6.81 6.81 156.0 1
Carbonic anhydrase 4
CHEMBL3729
 Ki 4.05 4.05 90000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase V Ki = 156.0 nM 6.81 Inhibitory activity against human carbonic anhydrase V expressed in Escherichia ... 15454240
Carbonic anhydrase 4 Ki = 90000.0 nM 4.05 Inhibition constant of anion against human carbonic anhydrase isozyme hCA IV 15501038

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.cropro.2006.12.014 Colletotrichum coccodes 16
27283786 10.1016/j.bmc.2016.05.029 Unchecked 4
23078755 10.1016/j.bmc.2012.09.047 Unchecked 3
25998503 10.1016/j.bmcl.2015.05.001 Unchecked 3
15357993 10.1016/j.bmcl.2004.06.073 Carbonic anhydrase 2
26853167 10.1016/j.bmcl.2016.01.072 Unchecked 2
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase 9 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 2 1
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase 1 1
15357993 10.1016/j.bmcl.2004.06.073 Carbonic anhydrase 1 1
- 10.5281/zenodo.7389993 Solute carrier family 26 member 9 1
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase 4 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