Di(1H-indol-3-yl)methanone
AlkaPlorer ID: AK001230
Synonym: None
IUPAC Name: bis(1H-indol-3-yl)methanone
Structure
SMILES: C1=CC=C2C(=C1)C(=CN2)C(=O)C3=CNC4=CC=CC=C43
InChI: InChI=1S/C17H12N2O/c20-17(13-9-18-15-7-3-1-5-11(13)15)14-10-19-16-8-4-2-6-12(14)16/h1-10,18-19H
InChIKey: HYJTUULYIOBNLS-UHFFFAOYSA-N
Reference
Natural products dereplication by diffusion ordered NMR spectroscopy (DOSY)
PubChem CID: 12380289
CAS: 65610-73-3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 260.296
TPSA？: 48.65
MolLogP？: 3.880200000000001
Number of H-Donors: 2
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Free fatty acid receptor 1 | Activity | nan | None | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 120 | Activity | nan | None | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 120 | Inhibition | nan | % | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 84 | EC50 | 553.0 | nM | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 84 | EC50 | 1930.0 | nM | 10.1021/acs.jmedchem.9b01339 |
| Homo sapiens | G-protein coupled receptor 84 | EC50 | 19000.0 | nM | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 84 | Emax | 104.0 | % | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 84 | Emax | 161.0 | % | 10.1021/acs.jmedchem.6b01593 |
| Homo sapiens | G-protein coupled receptor 84 | %max | 59.0 | % | 10.1021/acs.jmedchem.9b01339 |