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Compound Detail

CHEMBL1161681

NITROUS ACID
💊 Approved Drug
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Basic Information

ChEMBL ID CHEMBL1161681
Name NITROUS ACID
Phase Approved
Structure Type MOL
InChI Key IOVCWXUNBOPUCH-UHFFFAOYSA-N

Known Names

Nitrite (no2-) Nitrous acid
3
Targets
31
Activities
1
Assay Types
0
PK Parameters
20
Publications
2
Known Names
1
Indications

Molecular Properties

47.0
MW (Da)
0.14
ALogP
2
HBA
1
HBD
49.7
PSA (Ų)
0.31
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2011
Availability Prescription
Chirality Achiral

Routes of Administration

Parenteral

Flags

Black Box Warning Natural Product

Extended Properties

Molecular Formula HNO2
MW 47.01
Aromatic Rings 0
Heavy Atoms 3
NP-Likeness 0.14

Indications

Heart Arrest

Activity Summary

Ki 31 meas. best 2.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Carbonic anhydrase 1
CHEMBL261
 Ki 2.08 2.08 8400000.0 1
Carbonic anhydrase 13
CHEMBL2186
 Ki 1.9 1.9 12600000.0 1
Carbonic anhydrase 2
CHEMBL205
 Ki 1.2 1.2 63000000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Carbonic anhydrase 1 Ki = 8400000.0 nM 2.08 Inhibitory activity against human carbonic anhydrase I expressed in Escherichia ... 15454240
Carbonic anhydrase 13 Ki = 12600000.0 nM 1.9 Inhibitory activity against mouse carbonic anhydrase XIII expressed in Escherich... 15454240
Carbonic anhydrase 2 Ki = 63000000.0 nM 1.2 Inhibitory activity against human carbonic anhydrase II expressed in Escherichia... 15454240

Literature References

PubMed DOI Target Context # Activities
27283786 10.1016/j.bmc.2016.05.029 Unchecked 4
26853167 10.1016/j.bmcl.2016.01.072 Unchecked 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
15357993 10.1016/j.bmcl.2004.06.073 Carbonic anhydrase 2
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase 4 1
21208801 10.1016/j.bmcl.2010.11.124 Carbonic anhydrase 1
21208801 10.1016/j.bmcl.2010.11.124 Alpha carbonic anhydrase 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 9 1
15501038 10.1016/j.bmcl.2004.09.063 Carbonic anhydrase V 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
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
15357993 10.1016/j.bmcl.2004.06.073 Carbonic anhydrase 2 1

Data from ChEMBL 36 via Core Engine