None
AlkaPlorer ID: AK324330
Synonym: None
IUPAC Name: 1-(1H-indole-3-carbonyl)-N-[(4-methylphenyl)methyl]-9H-pyrido[3,4-b]indole-3-carboxamide
Structure
SMILES: CC1=CC=C(CNC(=O)C2=CC3=C(NC4=CC=CC=C43)C(C(=O)C3=CNC4=CC=CC=C34)=N2)C=C1
InChI: InChI=1S/C29H22N4O2/c1-17-10-12-18(13-11-17)15-31-29(35)25-14-21-19-6-3-5-9-24(19)32-26(21)27(33-25)28(34)22-16-30-23-8-4-2-7-20(22)23/h2-14,16,30,32H,15H2,1H3,(H,31,35)
InChIKey: BUOSGXUGVLMLEL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 458.5210000000002
TPSA？: 90.64
MolLogP？: 5.666820000000004
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 | 63.87 | % | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | HepG2 | IC50 | 65320.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | SGC-7901 | GI | 63.97 | % | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | SGC-7901 | IC50 | 65980.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | GI | 26.97 | % | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | GI | 55.0 | % | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | IC50 | 73200.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | IC50 | 85000.0 | nM | 10.1016/j.ejmech.2019.02.060 |