Molecule

N,N'-Dicyclohexylurea

AlkaPlorer ID: AK004286

Synonym: None

IUPAC Name: 1,3-dicyclohexylurea

Structure

SMILES: OC(=NC1CCCCC1)NC1CCCCC1

InChI: InChI=1S/C13H24N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2,(H2,14,15,16)

InChIKey: ADFXKUOMJKEIND-UHFFFAOYSA-N

Reference

PubChem CID: 4277

CAS: 2387-23-7

SuperNatural Ⅲ: SN0002483

NPASS: NPC110136

COCONUT: CNP0081659

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Toddalia	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Portulaca oleracea	Portulaca	Portulacaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 224.348

TPSA？: 44.620000000000005

MolLogP？: 3.155400000000002

Number of H-Donors: 2

Number of H-Acceptors: 1

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Aldehyde dehydrogenase 1A1	Potency	44668.4	nM	None
Homo sapiens	Cytochrome P450 3A4	Potency	3162.3	nM	None
Homo sapiens	Epoxide hydratase	IC50	3.0	nM	10.1016/j.bmcl.2014.03.016
Homo sapiens	Epoxide hydratase	IC50	5.1	nM	10.1016/j.bmcl.2014.03.016
Homo sapiens	Epoxide hydratase	IC50	25.0	nM	10.1021/acsmedchemlett.6b00099
Homo sapiens	Epoxide hydratase	IC50	25.3	nM	10.1016/j.bmc.2014.03.001
Homo sapiens	Epoxide hydratase	IC50	52.0	nM	10.1016/j.bmcl.2011.10.074
Homo sapiens	Epoxide hydratase	IC50	52.0	nM	10.1021/jm070270t
Homo sapiens	Epoxide hydratase	IC50	90.0	nM	10.1016/j.bmc.2016.08.010
Homo sapiens	Epoxide hydrolase 1	IC50	160.0	nM	10.1007/s00044-011-9953-1
Homo sapiens	Epoxide hydrolase 1	IC50	160.0	nM	None
Homo sapiens	Liver microsome	Stability	22.0	%	10.1016/j.bmcl.2014.03.016
Homo sapiens	Liver microsome	Stability	100.0	%	10.1016/j.bmcl.2014.03.016
Homo sapiens	Lysine-specific demethylase 4D-like	Potency	35481.3	nM	None
Homo sapiens	Runt-related transcription factor 1/Core-binding factor subunit beta	Potency	50118.7	nM	None
Mus musculus	Epoxide hydrolase 1	IC50	90.0	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	631.0	nM	None
Severe acute respiratory syndrome coronavirus 2	Replicase polyprotein 1ab	Inhibition	14.36	%	10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2	SARS-CoV-2	Inhibition	-0.19	%	10.6019/CHEMBL4495565
None	No relevant target	Solubility	5000.0	nM	10.1016/j.bmcl.2014.03.016
None	Unchecked	Activity	nan	None	10.1016/j.bmcl.2022.128822
None	Unchecked	Inhibition	28.0	%	10.1016/j.bmcl.2022.128822
None	Unchecked	Potency	1584.9	nM	None