8,9,10,11-Tetrahydro-5-methoxy-6H-isoquino[8,1-bc]naphthyridin-6-one
AlkaPlorer ID: AK122851
Synonym: Piperidine[3,2-b]demethyloxyaaptamine
IUPAC Name: 11-methoxy-3,8,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,7,9(17),10,12,14-heptaen-10-ol
Structure
SMILES: COC1=CC2=C3C(=NC4=C(NCCC4)C3=NC=C2)C1=O
InChI: InChI=1S/C15H13N3O2/c1-20-10-7-8-4-6-17-13-11(8)14(15(10)19)18-9-3-2-5-16-12(9)13/h4,6-7,16H,2-3,5H2,1H3
InChIKey: MIEAXXRNRQRCBI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aaptos aaptos | Aaptos | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 267.288
TPSA？: 64.11
MolLogP？: 2.1715
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | HT-29 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | K562 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | KB | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| Homo sapiens | MCF7 | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |
| None | NON-PROTEIN TARGET | IC50 | 10.0 | ug.mL-1 | 10.1021/np500583z |