4-phenylpyridine
AlkaPlorer ID: AK025010
Synonym: '4-Phenylpyridine', 'MLS002206281', 'SMR000112292'
IUPAC Name: 4-phenylpyridine
Structure
SMILES: C1=CC=C(C2=CC=NC=C2)C=C1
InChI: InChI=1S/C11H9N/c1-2-4-10(5-3-1)11-6-8-12-9-7-11/h1-9H
InChIKey: JVZRCNQLWOELDU-UHFFFAOYSA-N
Reference
Occurrence of pyridines and other bases in orange oil
PubChem CID: 13651
CAS: 52642-16-7
LOTUS: LTS0196237
SuperNatural Ⅲ: SN0176804
COCONUT: CNP0303887
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus sinensis | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 155.2
TPSA？: 12.89
MolLogP？: 2.7486000000000006
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Dihydropteridine reductase | IC50 | 2400000.0 | nM | 10.1021/jm00381a009 |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 2238.7 | nM | None |
| Homo sapiens | Indoleamine 2,3-dioxygenase | Inhibition | nan | % | 10.1021/acs.jmedchem.0c01968 |
| Homo sapiens | Indoleamine 2,3-dioxygenase | Inhibition | nan | % | 10.1021/jm300260v |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 29092.9 | nM | None |
| Homo sapiens | Matrix metalloproteinase 3 | Kd | 170000.0 | nM | 10.1021/jm020160g |
| Homo sapiens | Matrix metalloproteinase 3 | Kd | 900000.0 | nM | 10.1021/jm020160g |
| Homo sapiens | Peregrin | Kd | 200000.0 | nM | 10.1021/acs.jmedchem.6b00215 |
| Klebsiella pneumoniae | OXA-48 | IC50 | 2000000.0 | nM | 10.1021/acs.jmedchem.6b00660 |
| Klebsiella pneumoniae | OXA-48 | Kd | 1000000.0 | nM | 10.1021/acs.jmedchem.6b00660 |
| Rattus norvegicus | Dihydropteridine reductase | IC50 | 1900000.0 | nM | 10.1021/jm00381a009 |
| None | No relevant target | Log PNalk | 1.58 | None | 10.1021/jm048980b |