Molecule

N,N'-Dibenzylthiourea

AlkaPlorer ID: AK050374

Synonym: N,N'-Bis(phenylmethyl)thiourea, Thiodiamin

IUPAC Name: 1,3-dibenzylthiourea

SMILES: SC(=NCC1=CC=CC=C1)NCC1=CC=CC=C1

InChI: InChI=1S/C15H16N2S/c18-15(16-11-13-7-3-1-4-8-13)17-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,16,17,18)

InChIKey: LQZPSWMMTICWHD-UHFFFAOYSA-N

PubChem CID: 838375

CAS: 1424-14-2

LOTUS: LTS0108837

SuperNatural Ⅲ: SN0213015

COCONUT: CNP0277474

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Carica papaya	Carica	Caricaceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Salvadora oleoides	Salvadora	Salvadoraceae	Brassicales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Crataegus	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 256.374

TPSA？: 24.39

MolLogP？: 3.262200000000001

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	15-hydroxyprostaglandin dehydrogenase [NAD+]	Potency	14125.4	nM	None
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	25118.9	nM	None
Homo sapiens	Arachidonate 12-lipoxygenase	Potency	28183.8	nM	None
Homo sapiens	Geminin	Potency	2059.6	nM	None
Homo sapiens	Geminin	Potency	20596.2	nM	None
Homo sapiens	HepG2	Potency	1412.5	nM	None
Homo sapiens	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	35481.3	nM	None
Homo sapiens	Transient receptor potential cation channel subfamily A member 1	IC50	10000.0	nM	10.1016/j.bmcl.2011.12.068
Mus musculus	Nuclear receptor ROR-gamma	Potency	5623.4	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	18526.0	nM	None
None	Unchecked	Inhibition	37.18	%	10.1016/j.bmcl.2022.128822
None	Unchecked	Potency	22387.2	nM	None