2-[3-(cyanomethyl)-4-methoxy-1H-indol-7-yl]-2-(1H-indol-3-yl)acetonitrile
AlkaPlorer ID: AK011932
Synonym: None
IUPAC Name: (2S)-2-[3-(cyanomethyl)-4-methoxy-1H-indol-7-yl]-2-(1H-indol-3-yl)acetonitrile
Structure
SMILES: COC1=CC=C([C@@H](C#N)C2=CNC3=CC=CC=C23)C2=C1C(CC#N)=CN2
InChI: InChI=1S/C21H16N4O/c1-26-19-7-6-15(21-20(19)13(8-9-22)11-25-21)16(10-23)17-12-24-18-5-3-2-4-14(17)18/h2-7,11-12,16,24-25H,8H2,1H3/t16-/m1/s1
InChIKey: VFCSQPLDMATYSC-MRXNPFEDSA-N
Reference
Alkaloids from the Root of <i>Isatis indigotica</i>
PubChem CID: 70690687
LOTUS: LTS0002200
NPASS: NPC470549
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isatis tinctoria | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 340.38600000000014
TPSA？: 88.38999999999999
MolLogP？: 4.379360000000003
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | Activity | nan | None | 10.1021/np3002833 |
| Homo sapiens | Bel-7402 | Activity | nan | None | 10.1021/np3002833 |
| Homo sapiens | BGC-823 | Activity | nan | None | 10.1021/np3002833 |
| Homo sapiens | HCT-8 | Activity | nan | None | 10.1021/np3002833 |
| Homo sapiens | KETR3 | Activity | nan | None | 10.1021/np3002833 |
| Homo sapiens | MCF7 | Activity | nan | None | 10.1021/np3002833 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | Activity | nan | None | 10.1021/np3002833 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Activity | nan | None | 10.1021/np3002833 |
| Influenza A virus | Influenza A virus | IC50 | 3700.0 | nM | 10.1021/np3002833 |