2,3,4,6,7,8,9,10-Octahydropyrimido[1,2-a]azepine
AlkaPlorer ID: AK080800
Synonym: 1,8-Diazabicyclo[5.4.0]undec-7-ene, DBU, NSC 111184
IUPAC Name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine
Structure
SMILES: C1CCC2=NCCCN2CC1
InChI: InChI=1S/C9H16N2/c1-2-5-9-10-6-4-8-11(9)7-3-1/h1-8H2
InChIKey: GQHTUMJGOHRCHB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Niphates digitalis | Niphates | Niphatidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 152.241
TPSA？: 15.6
MolLogP？: 1.6646
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Geminin | Potency | 25929.0 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 50118.7 | nM | None |
| Homo sapiens | Indolethylamine N-methyltransferase | IC50 | 25700.0 | nM | 10.1021/jm00189a004 |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 2 | Potency | 15848.9 | nM | None |
| Oryctolagus cuniculus | Indolethylamine N-methyltransferase | IC50 | 8000.0 | nM | 10.1021/jm00189a004 |
| None | Unchecked | Potency | 6513.1 | nM | None |