Annomontine; 3,4-Dihydro
AlkaPlorer ID: AK051753
Synonym: 1-(2-Amino-4-pyrimidinyl)-3,4-dihydro-β-carboline, 3,4-Dihydroannomontine, Acanthomine A
IUPAC Name: 4-(4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
Structure
SMILES: NC1=NC=CC(C2=NCCC3=C2NC2=CC=CC=C32)=N1
InChI: InChI=1S/C15H13N5/c16-15-18-8-6-12(20-15)14-13-10(5-7-17-14)9-3-1-2-4-11(9)19-13/h1-4,6,8,19H,5,7H2,(H2,16,18,20)
InChIKey: NFXSUBLDOSKHAN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Acanthostrongylophora ingens | Acanthostrongylophora | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 263.304
TPSA？: 79.95
MolLogP？: 1.9336
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 1.92 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| Homo sapiens | HCT-116 | IC50 | 0.59 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| Homo sapiens | MCF7 | IC50 | 2.81 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |