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Compound Detail

CHEMBL21619

2-AMINOPYRIDINE
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Basic Information

ChEMBL ID CHEMBL21619
Name 2-AMINOPYRIDINE
Phase Preclinical
Structure Type MOL
InChI Key ICSNLGPSRYBMBD-UHFFFAOYSA-N
6
Targets
11
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

94.1
MW (Da)
0.66
ALogP
2
HBA
1
HBD
38.9
PSA (Ų)
0.51
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 C5H6N2
MW 94.12
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -0.19

Activity Summary

IC50 8 meas. best 5.75
Kd 3 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Botulinum neurotoxin type A
CHEMBL5192
 IC50 5.75 5.75 1800.0 1
Nitric oxide synthase, inducible
CHEMBL4481
 IC50 5.72 5.72 1900.0 1
Nitric oxide synthase 3
CHEMBL4803
 IC50 5.55 5.55 2800.0 1
Nitric oxide synthase 1
CHEMBL3568
 IC50 5.32 5.23 4800.0 2
Phosphatidylinositol 4-kinase, PI4K
CHEMBL2096619
 IC50 5.15 5.15 7100.0 1
Nitric oxide synthase 1
CHEMBL3048
 IC50 5.06 5.045 8700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Botulinum neurotoxin type A IC50 = 1800.0 nM 5.75 Inhibition of protease activity of recombinant full length Clostridium botulinum... 28043798
Nitric oxide synthase, inducible IC50 = 1900.0 nM 5.72 Inhibitory activity against inducible nitric oxide synthase (iNOS) 10987430
Nitric oxide synthase 3 IC50 = 2800.0 nM 5.55 Inhibitory activity against endothelial nitric oxide synthase (eNOS) 10987430
Nitric oxide synthase 1 IC50 = 4800.0 nM 5.32 Inhibitory activity against neuronal nitric oxide synthase 10987430
Phosphatidylinositol 4-kinase, PI4K IC50 = 7100.0 nM 5.15 Inhibitory activity (IC50) against human phosphatidylinositol 4-kinase at the AT... 2165159
Nitric oxide synthase 1 IC50 = 7200.0 nM 5.14 Inhibition of human nNOS by hemoglobin capture assay 19537690
Nitric oxide synthase 1 IC50 = 8700.0 nM 5.06 Inhibition of wild type rat nNOS by hemoglobin capture assay 19537690
Nitric oxide synthase 1 IC50 = 9300.0 nM 5.03 Inhibition of rat nNOS L337H mutant by hemoglobin capture assay 19537690

Literature References

PubMed DOI Target Context # Activities
4032427 10.1021/jm00147a021 Neuronal acetylcholine receptor 6
19537690 10.1021/jm900380j Nitric oxide synthase 1 3
21834513 10.1021/jm2001103 Human immunodeficiency virus 1 2
31922756 10.1021/acs.jmedchem.9b01492 Neutrophil cytosol factor 1 2
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide sythases; iNOS & nNOS 2
19537690 10.1021/jm900380j Unchecked 2
10893304 10.1021/jm000017s DNA gyrase 1
36288465 10.1021/acs.jmedchem.2c01166 No relevant target 1
19144449 10.1016/j.ejmech.2008.12.007 Nitric oxide synthase 1 1
19144449 10.1016/j.ejmech.2008.12.007 Nitric oxide synthase, inducible 1
19144449 10.1016/j.ejmech.2008.12.007 Nitric oxide synthase 3 1
15481978 10.1021/jm049533z No relevant target 1
15481978 10.1021/jm049533z Tyrosine-protein kinase TEC 1
2165159 10.1021/jm00170a005 Phosphatidylinositol 4-kinase, PI4K 1
10893304 10.1021/jm000017s No relevant target 1
15081014 10.1016/j.bmcl.2004.02.011 No relevant target 1
- 10.1016/S0960-894X(01)80427-3 No relevant target 1
6991693 10.1021/jm00178a008 No relevant target 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase 1 1
10987430 10.1016/s0960-894x(00)00389-9 Nitric oxide synthase 3 1

Data from ChEMBL 36 via Core Engine