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Ligand

NameCHEMBL185136
Molecular formulaC19H20Cl2N2O3
IUPAC name1-(2,4-dichlorophenyl)-3-[(4S,5S)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]urea
Molecular weight395.28
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL6352846
AILCJWWDSWGJPE-IRXDYDNUSA-N
1-(2,4-Dichloro-phenyl)-3-((4S,5S)-2,2-dimethyl-4-phenyl-[1,3]dioxan-5-yl)-urea
BDBM50412862
Inchi KeyAILCJWWDSWGJPE-IRXDYDNUSA-N
Inchi IDInChI=1S/C19H20Cl2N2O3/c1-19(2)25-11-16(17(26-19)12-6-4-3-5-7-12)23-18(24)22-15-9-8-13(20)10-14(15)21/h3-10,16-17H,11H2,1-2H3,(H2,22,23,24)/t16-,17-/m0/s1
PubChem CID10453273
ChEMBLCHEMBL185136
IUPHARN/A
BindingDB50412862
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
6320Orexin receptor type 1O43613HCRTR1Homo sapiens (Human)425
6319Orexin receptor type 2O43614HCRTR2Homo sapiens (Human)444

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