5-methoxyindole-3-acetic acid
AlkaPlorer ID: AK002417
Synonym: '5-Methoxy-3-indoleacetic acid', '5-Methoxyindol-3-ylacetic acid', '2-(5-methoxyindole-3-yl)acetic acid', '5-Methoxyindoleacetic acid', 'MLSMR', 'MLS000515791', '2-(5-methoxy-1H-indol-3-yl)ethanoic acid', 'SMR000112265'
IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)acetic acid
Structure
SMILES: COC1=CC=C2NC=C(CC(=O)O)C2=C1
InChI: InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKey: COCNDHOPIHDTHK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Daphnia pulex | Daphnia | Daphniidae | Diplostraca | Branchiopoda | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 205.213
TPSA？: 62.32000000000001
MolLogP？: 1.8036
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cricetulus griseus | V79 | Surviving fraction | 0.2 | None | 10.1016/s0960-894x(02)00505-x |
| Homo sapiens | Geminin | Potency | 7307.8 | nM | None |
| Homo sapiens | Geminin | Potency | 20596.2 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 25118.9 | nM | None |
| Homo sapiens | Serum albumin | logKA | 0.185 | None | 10.1016/j.bmc.2007.04.005 |
| Influenza A virus | Nonstructural protein 1 | Potency | 2511.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 10417.9 | nM | None |
| None | Molecular identity unknown | Rate constant (k) | 22.0 | Ie3 M-1 s-1 | 10.1016/s0960-894x(02)00505-x |
| None | No relevant target | log K | 1.23 | None | 10.1016/j.bmc.2007.04.005 |
| None | Unchecked | IC50 | 150000.0 | nM | None |