None
AlkaPlorer ID: AK324328
Synonym: None
IUPAC Name: N-benzyl-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Structure
SMILES: O=C(NCC1=CC=CC=C1)C1=CC2=C(NC3=CC=CC=C32)C(C(=O)C2=CNC3=CC=CC=C23)=N1
InChI: InChI=1S/C28H20N4O2/c33-27(21-16-29-22-12-6-4-11-19(21)22)26-25-20(18-10-5-7-13-23(18)31-25)14-24(32-26)28(34)30-15-17-8-2-1-3-9-17/h1-14,16,29,31H,15H2,(H,30,34)
InChIKey: JQSNEIGVYJLNDO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 444.4940000000002
TPSA？: 90.64
MolLogP？: 5.358400000000004
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | GI | 77.3 | % | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | HepG2 | IC50 | 36240.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | SGC-7901 | GI | 79.0 | % | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | SGC-7901 | IC50 | 39870.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | GI | 67.4 | % | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | GI | 75.53 | % | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | IC50 | 42820.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | IC50 | 56370.0 | nM | 10.1016/j.ejmech.2019.02.060 |