Molecule

Bis(4-methyl-1-piperazinylthiocarbonyl) disulfide

AlkaPlorer ID: AK280581

Synonym: None

IUPAC Name: (4-methylpiperazine-1-carbothioyl)sulfanyl 4-methylpiperazine-1-carbodithioate

SMILES: CN1CCN(C(=S)SSC(=S)N2CCN(C)CC2)CC1

InChI: InChI=1S/C12H22N4S4/c1-13-3-7-15(8-4-13)11(17)19-20-12(18)16-9-5-14(2)6-10-16/h3-10H2,1-2H3

InChIKey: OOBDBFPYJXJEHC-UHFFFAOYSA-N

PubChem CID: 30054

CAS: 20231-01-0

COCONUT: CNP0460498

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 350.6040000000002

TPSA？: 12.96

MolLogP？: 1.4324

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Anandamide amidohydrolase	IC50	199526.23	nM	10.1021/jm901323s
Homo sapiens	D-3-phosphoglycerate dehydrogenase	IC50	170.0	nM	10.1016/j.ejmech.2021.113379
Homo sapiens	Fructose-1,6-bisphosphatase	IC50	10000.0	nM	10.1016/j.ejmech.2020.112500
Homo sapiens	Fructose-1,6-bisphosphatase	Inhibition	26.25	%	10.1016/j.ejmech.2020.112500
Homo sapiens	MCF7	IC50	350.0	nM	10.1021/jm901757t
Homo sapiens	MDA-MB-231	IC50	290.0	nM	10.1021/jm901757t
Homo sapiens	MDA-MB-231	IC50	3000.0	nM	10.1021/jm901757t
Homo sapiens	Monoglyceride lipase	Activity	nan	None	10.1021/jm901323s
Homo sapiens	Monoglyceride lipase	IC50	109.65	nM	10.1021/jm901323s
Homo sapiens	Monoglyceride lipase	IC50	302.0	nM	10.1021/jm901323s
Homo sapiens	Monoglyceride lipase	IC50	8317.64	nM	10.1021/jm901323s
Homo sapiens	Monoglyceride lipase	Inhibition	50.0	%	10.1021/jm901323s
Homo sapiens	T47D	IC50	330.0	nM	10.1021/jm901757t
Rattus norvegicus	Aldehyde dehydrogenase	IC50	15848.93	nM	10.1021/jm901323s
None	ADMET	IC50	10000.0	nM	10.1021/jm901757t