3-methylpyridine
AlkaPlorer ID: AK052477
Synonym: None
IUPAC Name: 3-methylpyridine
Structure
SMILES: CC1=CC=CN=C1
InChI: InChI=1S/C6H7N/c1-6-3-2-4-7-5-6/h2-5H,1H3
InChIKey: ITQTTZVARXURQS-UHFFFAOYSA-N
Reference
The volatile bases of cigar smoke
PubChem CID: 176079969
CAS: 108-99-6
LOTUS: LTS0131636
SuperNatural Ⅲ: SN0155016
COCONUT: CNP0206932
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus limonia | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 93.129
TPSA？: 12.89
MolLogP？: 1.39002
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 707.9 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 79432.8 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 1458.1 | nM | None |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma | Potency | 50118.7 | nM | None |
| Homo sapiens | Thromboxane-A synthase | Inhibition | 66.4 | % | 10.1021/jm00142a006 |
| Homo sapiens | Thyroid hormone receptor beta-1 | Potency | 0.7 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 827.5 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 5858.4 | nM | None |
| Rattus norvegicus | Neuronal acetylcholine receptor | Inhibition | 121.0 | % | 10.1021/jm00147a021 |
| Rattus norvegicus | Neuronal acetylcholine receptor | Kd | 1800000.0 | nM | 10.1021/jm00147a021 |
| None | No relevant target | LogP | 1.2 | None | 10.1021/jm00227a008 |