Molecule

None

AlkaPlorer ID: AK323047

Synonym: None

IUPAC Name: 10-(4-methylphenyl)sulfonylphenoxazine

SMILES: CC1=CC=C(S(=O)(=O)N2C3=CC=CC=C3OC3=CC=CC=C32)C=C1

InChI: InChI=1S/C19H15NO3S/c1-14-10-12-15(13-11-14)24(21,22)20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3

InChIKey: DHZNMEIBMACSFH-UHFFFAOYSA-N

PubChem CID: 2320735

CAS: 55476-47-6

NPASS: NPC480068

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 337.40000000000003

TPSA？: 46.61

MolLogP？: 4.627720000000003

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	P2X purinoceptor 1	Activity	45.0	%	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 1	IC50	10000.0	nM	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 2	Activity	-5.0	%	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 2	IC50	10000.0	nM	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 3	Activity	32.0	%	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 3	IC50	10000.0	nM	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 4	IC50	420.0	nM	10.1021/acs.jnatprod.9b00410
Homo sapiens	P2X purinoceptor 4	IC50	760.0	nM	10.1021/acs.jnatprod.9b00410
Homo sapiens	P2X purinoceptor 4	IC50	1380.0	nM	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 4	IC50	1400.0	nM	10.1021/acs.jnatprod.9b00410
Homo sapiens	P2X purinoceptor 4	IC50	3300.0	nM	10.1021/acs.jnatprod.9b00410
Homo sapiens	P2X purinoceptor 4	Inhibition	39.0	%	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 4	Inhibition	68.0	%	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 4	Inhibition	nan	%	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 7	Activity	6.0	%	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 7	IC50	10000.0	nM	10.1021/jm300845v
Homo sapiens	P2X purinoceptor 7	IC50	nan	None	10.1021/acs.jnatprod.9b00410
Mus musculus	P2X purinoceptor 4	IC50	1760.0	nM	10.1021/jm300845v
Rattus norvegicus	P2X purinoceptor 4	IC50	928.0	nM	10.1021/jm300845v