3-Amino-8-methoxy-9H-benzo[de][1,6]naphthyridin-9-one; N3-(2-Methylpropyl)
AlkaPlorer ID: AK122880
Synonym: 3-(Isobutylamino)demethyloxyaaptamine
IUPAC Name: 11-methoxy-4-(2-methylpropylimino)-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),2,5,7,9,11-hexaen-12-ol
Structure
SMILES: COC1=CC2=C3C(=NC=C(NCC(C)C)C3=NC=C2)C1=O
InChI: InChI=1S/C16H17N3O2/c1-9(2)7-18-11-8-19-15-13-10(4-5-17-14(11)13)6-12(21-3)16(15)20/h4-6,8-9,18H,7H2,1-3H3
InChIKey: ZBJSECODVOITAH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aaptos aaptos | Aaptos | Suberitidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 283.331
TPSA？: 64.11
MolLogP？: 2.8813000000000013
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 | 1000.0 | nM | 10.1021/np500583z |
| Homo sapiens | HT-29 | IC50 | 8500.0 | nM | 10.1021/np500583z |
| Homo sapiens | K562 | IC50 | 460.0 | nM | 10.1021/np500583z |
| Homo sapiens | KB | IC50 | 1100.0 | nM | 10.1021/np500583z |
| Homo sapiens | MCF7 | IC50 | 2300.0 | nM | 10.1021/np500583z |
| None | NON-PROTEIN TARGET | IC50 | 280.0 | nM | 10.1021/np500583z |