BRN 0400664
AlkaPlorer ID: AK020215
Synonym: 'BRN 0400664'
IUPAC Name: N-[2-(1H-indol-3-yl)ethyl]propanamide
Structure
SMILES: CCC(=O)NCCC1=CNC2=CC=CC=C12
InChI: InChI=1S/C13H16N2O/c1-2-13(16)14-8-7-10-9-15-12-6-4-3-5-11(10)12/h3-6,9,15H,2,7-8H2,1H3,(H,14,16)
InChIKey: JIKOBZRNRCOBRY-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 216.284
TPSA？: 44.89
MolLogP？: 2.2366
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Gallus gallus | Melatonin receptor | Ki | 398.0 | nM | 10.1016/S0960-894X(01)80565-5 |
| Gallus gallus | Melatonin receptor | pRA | -2.83 | None | 10.1021/jm9810093 |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 89125.1 | nM | None |
| Homo sapiens | Glutaminase kidney isoform, mitochondrial | Potency | 17782.8 | nM | None |
| Homo sapiens | GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 | Potency | 6513.1 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 8275.3 | nM | None |
| Rattus norvegicus | Inositol monophosphatase 1 | Potency | 5623.4 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 25118.9 | nM | None |
| Xenopus laevis | Xenopus laevis | Activity | nan | None | 10.1016/S0960-894X(01)80565-5 |
| None | Unchecked | Potency | 5173.5 | nM | None |