1H-Indole-3-carboxylic acid; Nitrile
AlkaPlorer ID: AK052482
Synonym: 1H-Indole-3-carbonitrile, 3-Cyanoindole
IUPAC Name: 1H-indole-3-carbonitrile
Structure
SMILES: N#CC1=CNC2=C1C=CC=C2
InChI: InChI=1S/C9H6N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H
InChIKey: CHIFTAQVXHNVRW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Capparis spinosa | Capparis | Capparaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| halophilic bacterium | None | None | None | None | None | None | Bacteria |
Properties Information
Molecule Weight: 142.16099999999997
TPSA？: 39.58
MolLogP？: 2.03958
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Inosine-5'-monophosphate dehydrogenase 2 | IC50 | 20900.0 | nM | 10.1016/j.bmcl.2006.01.089 |
| Homo sapiens | Inosine-5'-monophosphate dehydrogenase 2 | IC50 | 20900.0 | nM | 10.1016/j.bmcl.2006.01.090 |
| Homo sapiens | Inosine-5'-monophosphate dehydrogenase (IMPDH) | IC50 | 32000.0 | nM | 10.1016/s0960-894x(03)00237-3 |
| Meloidogyne incognita | Meloidogyne incognita | EC50 | 68.9 | ug.mL-1 | 10.1021/jf302075w |
| Meloidogyne incognita | Meloidogyne incognita | EC50 | 250.0 | ug.mL-1 | 10.1021/jf302075w |
| Mus musculus | Tryptophan 2,3-dioxygenase | IC50 | 80000.0 | nM | 10.1021/jm2006782 |
| None | NON-PROTEIN TARGET | LD50 | 80.0 | uM | 10.1021/jm2006782 |
| None | Unchecked | Activity | nan | None | 10.1021/np50126a026 |
| None | Unchecked | Inhibition | 51.0 | % | 10.1021/acs.jmedchem.7b01622 |