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Ligand

NameCHEMBL3898794
Molecular formulaC30H41ClN4O4
IUPAC name(6S,9R,12R)-6-[(2S)-butan-2-yl]-12-[(2-chlorophenyl)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 weight557.132
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.8
SynonymsN/A
Inchi KeyABOHBKNCAMQYLH-QIDJRYDTSA-N
Inchi IDInChI=1S/C30H41ClN4O4/c1-5-20(2)27-30(38)35(4)21(3)28(36)34-25(19-23-12-6-8-14-24(23)31)29(37)33-16-10-13-22-11-7-9-15-26(22)39-18-17-32-27/h6-9,11-12,14-15,20-21,25,27,32H,5,10,13,16-19H2,1-4H3,(H,33,37)(H,34,36)/t20-,21+,25+,27-/m0/s1
PubChem CID134133352
ChEMBLCHEMBL3898794
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
547912Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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