Annomontine
AlkaPlorer ID: AK036020
Synonym: 4-(9H-Pyrido[3,4-b]indol-1-yl)-2-pyrimidinamine, 1-(2-Amino-4-pyrimidinyl)-β-carboline, Annomurine
IUPAC Name: 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
Structure
SMILES: N=C1N=C(C2=NC=CC3=C2NC2=C3C=CC=C2)C=CN1
InChI: InChI=1S/C15H11N5/c16-15-18-8-6-12(20-15)14-13-10(5-7-17-14)9-3-1-2-4-11(9)19-13/h1-8,19H,(H2,16,18,20)
InChIKey: IUDMZJRPDRCJEB-UHFFFAOYSA-N
Reference
PubChem CID: 5257090
CAS: 82504-00-5
LOTUS: LTS0123241
NPASS: NPC122141
COCONUT: CNP0126473
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Annona foetida | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Annona montana | Annona | Annonaceae | Magnoliales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Acanthostrongylophora ingens | Acanthostrongylophora | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 261.288
TPSA？: 81.21000000000001
MolLogP？: 2.5856700000000004
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | IC50 | 1.09 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| Homo sapiens | HCT-116 | IC50 | 0.42 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| Homo sapiens | MCF7 | IC50 | 1.21 | ug.mL-1 | 10.1016/j.ejmech.2021.113688 |
| Leishmania braziliensis | Leishmania braziliensis | IC50 | 34800.0 | nM | 10.1021/np050422s |
| Leishmania guyanensis | Leishmania guyanensis | IC50 | 613000.0 | nM | 10.1021/np050422s |