PD 102807   Click here for help

GtoPdb Ligand ID: 11498

Synonyms: LSM-1888 | LSM1888 | PD-102807 | PD102807
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 63.79
Molecular weight 392.17
XLogP 4.28
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC
Isomeric SMILES CCOC(=O)c1c(C)[nH]c2c1c1CN3CCc4c(C3Oc1cc2)ccc(c4)OC
InChI InChI=1S/C23H24N2O4/c1-4-28-23(26)20-13(2)24-18-7-8-19-17(21(18)20)12-25-10-9-14-11-15(27-3)5-6-16(14)22(25)29-19/h5-8,11,22,24H,4,9-10,12H2,1-3H3
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
ethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
Synonyms Click here for help
LSM-1888 | LSM1888 | PD-102807 | PD102807
Database Links Click here for help
Specialist databases
GPCRdb Ligand PD 102807
Other databases
BindingDB Ligand 50071171
ChEMBL Ligand CHEMBL59898
GtoPdb PubChem SID 440816866
PubChem CID 4995951
Search Google for chemical match using the InChIKey VDDUJINYXKGZLV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VDDUJINYXKGZLV
UniChem Compound Search for chemical match using the InChIKey VDDUJINYXKGZLV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey VDDUJINYXKGZLV-UHFFFAOYSA-N