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Compound Detail

CHEMBL266158

PYRIDINE
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Basic Information

ChEMBL ID CHEMBL266158
Name PYRIDINE
Phase Preclinical
Structure Type MOL
InChI Key JUJWROOIHBZHMG-UHFFFAOYSA-N
1
Targets
6
Activities
4
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

79.1
MW (Da)
1.08
ALogP
1
HBA
0
HBD
12.9
PSA (Ų)
0.45
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 C5H5N
MW 79.10
Aromatic Rings 1
Heavy Atoms 6
NP-Likeness -1.14

Activity Summary

Kd 3 meas.
EC50 1 meas.
IC50 1 meas.
Ki 1 meas. best 9.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinate phosphoribosyltransferase
CHEMBL4523354
Ki 9.11 9.11 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinate phosphoribosyltransferase Ki = 0.78 nM 9.11 Inhibition of NAPRT (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 148
3599019 10.1021/jm00390a002 No relevant target 6
4032427 10.1021/jm00147a021 Neuronal acetylcholine receptor 5
26371436 10.1021/acs.jmedchem.5b01146 Cytochrome P450 3A4 4
18558667 10.1021/jm701549s No relevant target 4
19284751 10.1021/jm8012757 Heme 4
23473072 10.1021/jm301823g Endolysin 2
9526560 10.1021/jm9704311 ADMET 2
1271403 10.1021/jm00227a008 No relevant target 2
- 10.1016/0960-894X(95)00226-J No relevant target 2
15857133 10.1021/jm048980b No relevant target 1
22300887 10.1016/j.bmc.2012.01.014 No relevant target 1
19222165 10.1021/jm8012618 Heme 1
17300161 10.1021/jm0611105 ADMET 1
17300161 10.1021/jm0611105 No relevant target 1
10866370 10.1016/s0960-894x(00)00172-4 No relevant target 1
2033592 10.1021/jm00109a021 Lithobates pipiens 1
2033592 10.1021/jm00109a021 ADMET 1
3882967 10.1021/jm00381a013 No relevant target 1
37014977 10.1021/acs.jmedchem.2c02015 No relevant target 1

Data from ChEMBL 36 via Core Engine