Molecule

Phantasmidine

AlkaPlorer ID: AK309914

Synonym: None

IUPAC Name: 5-chloro-2-oxa-4,11-diazatetracyclo[7.5.0.01,12.03,8]tetradeca-3(8),4,6-triene

Structure

SMILES: ClC1=CC=C2C(=N1)OC13CCC1NCC23

InChI: InChI=1S/C11H11ClN2O/c12-9-2-1-6-7-5-13-8-3-4-11(7,8)15-10(6)14-9/h1-2,7-8,13H,3-5H2

InChIKey: CRXFCGUGNWJSEY-UHFFFAOYSA-N

Reference

PubChem CID: 75113427

COCONUT: CNP0213225.1

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Epipedobates anthonyi	Epipedobates	Dendrobatidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota

Properties Information

Molecule Weight: 222.675

TPSA？: 34.15

MolLogP？: 1.7153999999999991

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Neuronal acetylcholine receptor; alpha3/beta4	Ki	11.0	nM	10.1021/acs.jnatprod.8b00062
Homo sapiens	Neuronal acetylcholine receptor; alpha4/beta2	EC50	200.0	nM	10.1021/acs.jnatprod.8b00062
Homo sapiens	Neuronal acetylcholine receptor; alpha4/beta2	Emax	42.0	%	10.1021/acs.jnatprod.8b00062
Homo sapiens	Neuronal acetylcholine receptor; alpha4/beta2	Ki	0.35	nM	10.1021/acs.jnatprod.8b00062
Homo sapiens	Neuronal acetylcholine receptor protein alpha-7 subunit	Ki	5.4	nM	10.1021/acs.jnatprod.8b00062
Mus musculus	Mus musculus	LD50	0.27	mg.kg-1	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor	Ki	1.1	nM	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta2	Activity	nan	None	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta2	EC50	19000.0	nM	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta2	Imax	0.25	%	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta4	EC50	750.0	nM	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor; alpha3/beta4	Emax	91.0	%	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	Activity	nan	None	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	EC50	3.1	nM	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor; alpha4/beta2	Imax	0.32	%	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor protein alpha-7 subunit	Activity	nan	None	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor protein alpha-7 subunit	EC50	9900.0	nM	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Neuronal acetylcholine receptor protein alpha-7 subunit	Imax	1.08	%	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Serotonin 3a (5-HT3a) receptor	Activity	nan	None	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Serotonin 3a (5-HT3a) receptor	EC50	29000.0	nM	10.1021/acs.jnatprod.8b00062
Rattus norvegicus	Serotonin 3a (5-HT3a) receptor	Imax	0.79	%	10.1021/acs.jnatprod.8b00062
None	Unchecked	Ratio EC50	3.7	None	10.1021/acs.jnatprod.8b00062
None	Unchecked	Ratio EC50	3200.0	None	10.1021/acs.jnatprod.8b00062
None	Unchecked	Ratio Ki	31.0	None	10.1021/acs.jnatprod.8b00062