N-{1-phenyl-2H,3H-pyrrolo[2,3-b]quinolin-4-yl}butanamide
AlkaPlorer ID: AK253892
Synonym: None
IUPAC Name: N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)butanamide
Structure
SMILES: CCCC(=O)NC1=C2CCN(C3=CC=CC=C3)C2=NC2=CC=CC=C12
InChI: InChI=1S/C21H21N3O/c1-2-8-19(25)23-20-16-11-6-7-12-18(16)22-21-17(20)13-14-24(21)15-9-4-3-5-10-15/h3-7,9-12H,2,8,13-14H2,1H3,(H,22,23,25)
InChIKey: MEPYCFLDZVYGIM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 331.41900000000004
TPSA？: 45.23
MolLogP？: 4.667600000000004
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 17782.8 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 22387.2 | nM | None |
| Homo sapiens | Alpha-galactosidase A | Potency | 28183.8 | nM | None |
| Homo sapiens | Alpha-galactosidase A | Potency | 31622.8 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 19952.6 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 16360.1 | nM | None |
| Homo sapiens | Geminin | Potency | 29092.9 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 29092.9 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 25118.9 | nM | None |
| Homo sapiens | Lysosomal alpha-glucosidase | Potency | 19952.6 | nM | None |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | 79370.0 | nM | None |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | 79370.0 | nM | None |
| Homo sapiens | Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 3 | EC50 | 79370.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 20596.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 29092.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 8275.3 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 17782.8 | nM | None |
| None | Unchecked | Potency | 25118.9 | nM | None |
| None | Unchecked | Potency | 25929.0 | nM | None |
| None | Unchecked | Potency | 44668.4 | nM | None |