2-Acetylpyrrole
AlkaPlorer ID: AK010961
Synonym: '2‐Acetylpyrrole', '2-Acetyl pyrrole', '2-Acetyl-1H-indole', '2-Acetyl-1H-pyrrole'
IUPAC Name: 1-(1H-pyrrol-2-yl)ethanone
Structure
SMILES: CC(=O)C1=CC=CN1
InChI: InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glycyrrhiza glabra | Glycyrrhiza | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 109.12799999999996
TPSA？: 32.86
MolLogP？: 1.2173
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 111.71 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 98.29 | % | 10.1124/mol.112.084152 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| None | Unchecked | Potency | 7079.5 | nM | None |