Molecule

2-[(3-hydroxypropyl)amino]-3-methyl-3H-spiro[benzo[h]quinazoline-5,1'-cyclohexan]-4(6H)-one

AlkaPlorer ID: AK473298

Synonym: None

IUPAC Name: 2-(3-hydroxypropylamino)-3-methylspiro[6H-benzo[h]quinazoline-5,1'-cyclohexane]-4-one

Structure

SMILES: CN1C(NCCCO)=NC2=C(C1=O)C1(CCCCC1)CC1=CC=CC=C12

InChI: InChI=1S/C21H27N3O2/c1-24-19(26)17-18(23-20(24)22-12-7-13-25)16-9-4-3-8-15(16)14-21(17)10-5-2-6-11-21/h3-4,8-9,25H,2,5-7,10-14H2,1H3,(H,22,23)

InChIKey: NXRKXQLWXYVWIY-UHFFFAOYSA-N

Reference

Triterpenoidal Alkaloids from<i>Buxus natalensis</i>and Their Acetylcholinesterase Inhibitory Activity

PubChem CID: 650809

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Properties Information

Molecule Weight: 353.46600000000007

TPSA？: 67.15

MolLogP？: 2.999600000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	Potency	28183.8	nM	None
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	7943.3	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	28183.8	nM	None
Homo sapiens	Alpha-synuclein	Potency	35481.3	nM	None
Homo sapiens	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Potency	25118.9	nM	None
Homo sapiens	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Potency	31622.8	nM	None
Homo sapiens	Geminin	Potency	18356.4	nM	None
Homo sapiens	Glucagon-like peptide 1 receptor	Potency	12589.3	nM	None
Homo sapiens	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	16360.1	nM	None
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	28183.8	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	25118.9	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	35481.3	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	39810.7	nM	None
Homo sapiens	Rap guanine nucleotide exchange factor 3	Potency	100000.0	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	10322.5	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	23109.3	nM	None
Influenza A virus	Nonstructural protein 1	Potency	12589.3	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	35481.3	nM	None
Rattus norvegicus	Thioredoxin reductase 1, cytoplasmic	Potency	31622.8	nM	None
Saccharomyces cerevisiae S288c	Mitochondrial import inner membrane translocase subunit TIM10	IC50	6860.0	nM	None
Saccharomyces cerevisiae S288c	Mitochondrial import inner membrane translocase subunit TIM10	IC50	12300.0	nM	None
Saccharomyces cerevisiae S288c	Mitochondrial import inner membrane translocase subunit TIM23	IC50	8710.0	nM	None
Trypanosoma cruzi	Cruzipain	Potency	25118.9	nM	None
None	Unchecked	Potency	12589.3	nM	None
None	Unchecked	Potency	12995.3	nM	None