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Ligand

NameSCHEMBL804623
Molecular formulaC29H36Cl2N4O4
IUPAC name(6S,9R,12R)-6-cyclopropyl-12-[(3,4-dichlorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-triene-7,10,13-trione
Molecular weight575.531
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.5
SynonymsCHEMBL3903118
Inchi KeyBAYBKNUWBDTZMD-UFKXBGGNSA-N
Inchi IDInChI=1S/C29H36Cl2N4O4/c1-18-27(36)34-24(17-19-9-12-22(30)23(31)16-19)28(37)33-13-5-7-20-6-3-4-8-25(20)39-15-14-32-26(21-10-11-21)29(38)35(18)2/h3-4,6,8-9,12,16,18,21,24,26,32H,5,7,10-11,13-15,17H2,1-2H3,(H,33,37)(H,34,36)/t18-,24-,26+/m1/s1
PubChem CID11527086
ChEMBLCHEMBL3903118
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
536469Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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