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Ligand

NameCHEMBL390202
Molecular formulaC60H88Cl2N8O10
IUPAC name2-[4-[4-[3-[3-[3-[[4-[[1-[2-(4-amino-5-chloro-2-methoxybenzoyl)oxyethyl]piperidin-4-yl]amino]-4-oxobutyl]-(2,2-dimethylpropanoyl)amino]propyl]phenyl]propyl-(2,2-dimethylpropanoyl)amino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate
Molecular weight1152.31
Hydrogen bond acceptor14
Hydrogen bond donor4
XlogP8.3
Synonyms2-(4-{4-[N-(3-{3-[3-(N-{3-[(1-{2-[(4-amino-5-chloro-2-methoxyphenyl)carbonyloxy]ethyl}piperidin-4-yl)carbamoyl]propyl}-2,2-dimethylpropanamido)propyl]phenyl}propyl)-2,2-dimethylpropanamido]butanamido}piperidin-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate
BDBM50219124
Inchi KeyCVQMXWHGZRKUFR-UHFFFAOYSA-N
Inchi IDInChI=1S/C60H88Cl2N8O10/c1-59(2,3)57(75)69(26-12-18-53(71)65-43-20-28-67(29-21-43)32-34-79-55(73)45-37-47(61)49(63)39-51(45)77-7)24-10-16-41-14-9-15-42(36-41)17-11-25-70(58(76)60(4,5)6)27-13-19-54(72)66-44-22-30-68(31-23-44)33-35-80-56(74)46-38-48(62)50(64)40-52(46)78-8/h9,14-15,36-40,43-44H,10-13,16-35,63-64H2,1-8H3,(H,65,71)(H,66,72)
PubChem CID44427806
ChEMBLCHEMBL390202
IUPHARN/A
BindingDB50219124
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
517185-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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