Molecule

5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol

AlkaPlorer ID: AK262441

Synonym: None

IUPAC Name: 5,7-dimethyl-2-(methylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol

SMILES: CNC1=NC2=C(CC3=CC=CN=C3)C(C)=C(O)C(C)=C2S1

InChI: InChI=1S/C16H17N3OS/c1-9-12(7-11-5-4-6-18-8-11)13-15(10(2)14(9)20)21-16(17-3)19-13/h4-6,8,20H,7H2,1-3H3,(H,17,19)

InChIKey: IONAQTGMWFXHIX-UHFFFAOYSA-N

PubChem CID: 443292

CAS: 145096-30-6

SuperNatural Ⅲ: SN0151043

COCONUT: CNP0399601

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 299.399

TPSA？: 58.040000000000006

MolLogP？: 3.6462400000000015

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Arachidonate 5-lipoxygenase	IC50	100.0	nM	10.1021/jm058225d
Homo sapiens	Cyclooxygenase	IC50	100000.0	nM	10.1021/jm00045a011
Homo sapiens	Cyclooxygenase	IC50	300000.0	nM	10.1021/jm00045a011
Homo sapiens	Homo sapiens	IC50	830.0	nM	10.1021/jm00045a011
Homo sapiens	Homo sapiens	IC50	1100.0	nM	10.1021/jm00045a011
Homo sapiens	Homo sapiens	IC50	90000.0	nM	10.1021/jm00045a011
Homo sapiens	Leukotriene B4 receptor 1	IC50	210.0	nM	10.1021/jm00045a011
Homo sapiens	Myeloperoxidase	Inhibition	61.0	%	10.1021/jm00045a011
Homo sapiens	Thromboxane-A synthase	IC50	9.0	nM	10.1021/jm00045a011
Homo sapiens	Thromboxane-A synthase	IC50	90.0	nM	10.1021/jm058225d
Rattus norvegicus	Arachidonate 5-lipoxygenase	IC50	100.0	nM	10.1021/jm00045a011
Rattus norvegicus	Arachidonate 5-lipoxygenase	IC50	230.0	nM	10.1021/jm00045a011
Rattus norvegicus	Rattus norvegicus	Inhibition	39.0	%	10.1021/jm00045a011
Rattus norvegicus	Thromboxane-A synthase	IC50	90.0	nM	10.1021/jm00045a011
None	Unchecked	IC50	80.0	nM	10.1021/jm00045a011
None	Unchecked	Suppression ratio	51.0	%	10.1021/jm00045a011
None	Unchecked	Suppression ratio	64.0	%	10.1021/jm00045a011
None	Unchecked	Suppression ratio	73.0	%	10.1021/jm00045a011