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Name | CHEMBL2113291 |
---|---|
Molecular formula | C51H79ClN6O9 |
IUPAC name | 2-[4-[4-[3-[4-[3-[[4-(cyclohexylamino)-4-oxobutyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]propyl]phenyl]propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate |
Molecular weight | 955.676 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 3 |
XlogP | 8.0 |
Synonyms | N/A |
Inchi Key | BSRMAEQAJPCJKX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C51H79ClN6O9/c1-50(2,3)66-48(62)57(29-13-19-45(59)54-39-17-9-8-10-18-39)27-11-15-37-21-23-38(24-22-37)16-12-28-58(49(63)67-51(4,5)6)30-14-20-46(60)55-40-25-31-56(32-26-40)33-34-65-47(61)41-35-42(52)43(53)36-44(41)64-7/h21-24,35-36,39-40H,8-20,25-34,53H2,1-7H3,(H,54,59)(H,55,60) |
PubChem CID | 17754944 |
ChEMBL | CHEMBL2113291 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This 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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
31935 | 5-hydroxytryptamine receptor 4 | Q13639 | HTR4 | Homo sapiens (Human) | 388 |
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