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Ligand

NameCHEMBL3934402
Molecular formulaC28H36FN5O4
IUPAC name(6S,9R,12R)-6-cyclopropyl-12-[(4-fluorophenyl)methyl]-8,9-dimethyl-2-oxa-5,8,11,14,19-pentazabicyclo[16.4.0]docosa-1(18),19,21-triene-7,10,13-trione
Molecular weight525.625
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.3
SynonymsN/A
Inchi KeyAVLZMCWGUMOQMM-MQVPCNEGSA-N
Inchi IDInChI=1S/C28H36FN5O4/c1-18-26(35)33-23(17-19-7-11-21(29)12-8-19)27(36)32-14-3-5-22-24(6-4-13-30-22)38-16-15-31-25(20-9-10-20)28(37)34(18)2/h4,6-8,11-13,18,20,23,25,31H,3,5,9-10,14-17H2,1-2H3,(H,32,36)(H,33,35)/t18-,23-,25+/m1/s1
PubChem CID134138824
ChEMBLCHEMBL3934402
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
548054Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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