None
AlkaPlorer ID: AK324333
Synonym: None
IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-1-(1H-indole-3-carbonyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Structure
SMILES: COC1=CC(CNC(=O)C2=CC3=C(NC4=CC=CC=C43)C(C(=O)C3=CNC4=CC=CC=C34)=N2)=CC=C1O
InChI: InChI=1S/C29H22N4O4/c1-37-25-12-16(10-11-24(25)34)14-31-29(36)23-13-19-17-6-3-5-9-22(17)32-26(19)27(33-23)28(35)20-15-30-21-8-4-2-7-18(20)21/h2-13,15,30,32,34H,14H2,1H3,(H,31,36)
InChIKey: QSSVXOQLIMHVOT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 490.5190000000002
TPSA？: 120.1
MolLogP？: 5.072600000000004
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | GI | 80.87 | % | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | HepG2 | IC50 | 11080.0 | nM | 10.1016/j.bmcl.2021.128009 |
| Homo sapiens | HepG2 | IC50 | 11080.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | SGC-7901 | GI | 83.1 | % | 10.1016/j.ejmech.2019.02.060 |
| Homo sapiens | SGC-7901 | IC50 | 16180.0 | nM | 10.1016/j.bmcl.2021.128009 |
| Homo sapiens | SGC-7901 | IC50 | 16180.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | GI | 79.1 | % | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | GI | 81.67 | % | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | IC50 | 8470.0 | nM | 10.1016/j.bmcl.2021.128009 |
| None | Unchecked | IC50 | 8470.0 | nM | 10.1016/j.ejmech.2019.02.060 |
| None | Unchecked | IC50 | 21770.0 | nM | 10.1016/j.bmcl.2021.128009 |
| None | Unchecked | IC50 | 21770.0 | nM | 10.1016/j.ejmech.2019.02.060 |