None
AlkaPlorer ID: AK324329
Synonym: None
IUPAC Name: N-[(4-fluorophenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Structure
SMILES: O=C(NCC1=CC=C(F)C=C1)C1=NC(C(=O)C2=CNC3=CC=CC=C23)=C2NC3=CC=CC=C3C2=C1
InChI: InChI=1S/C28H19FN4O2/c29-17-11-9-16(10-12-17)14-31-28(35)24-13-20-18-5-2-4-8-23(18)32-25(20)26(33-24)27(34)21-15-30-22-7-3-1-6-19(21)22/h1-13,15,30,32H,14H2,(H,31,35)
InChIKey: WUWBPRILLQBYDQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 462.48400000000015
TPSA？: 90.64
MolLogP？: 5.497500000000003
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 | 73.9 | % | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | HepG2 | IC50 | 39040.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | SGC-7901 | GI | 78.8 | % | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | SGC-7901 | IC50 | 34540.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | GI | 63.8 | % | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | GI | 68.07 | % | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | IC50 | 55050.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | IC50 | 63060.0 | nM | 10.1016/j.ejmech.2019.02.060 |