3-Amino-8-methoxy-9H-benzo[de][1,6]naphthyridin-9-one; N3-(2ξ-Methylbutyl)
AlkaPlorer ID: AK122877
Synonym: 3-(2-Methylbutylamino)demethyloxyaaptamine
IUPAC Name: 11-methoxy-4-(2-methylbutylimino)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),2,5,7,9,11-hexaen-12-ol
Structure
SMILES: CCC(C)CNC1=CN=C2C(=O)C(OC)=CC3=C2C1=NC=C3
InChI: InChI=1S/C17H19N3O2/c1-4-10(2)8-19-12-9-20-16-14-11(5-6-18-15(12)14)7-13(22-3)17(16)21/h5-7,9-10,19H,4,8H2,1-3H3
InChIKey: PMJBMJOXTUFZIA-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aaptos aaptos | Aaptos | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 297.358
TPSA？: 64.11
MolLogP？: 3.2714000000000016
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 3
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 |