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Name | ML10302 scaffold, 19 |
---|---|
Molecular formula | C28H39ClN4O4 |
IUPAC name | 2-[4-[4-(3-phenylpropylamino)butanoylamino]piperidin-1-yl]ethyl 4-amino-5-chloro-2-methoxybenzoate |
Molecular weight | 531.094 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 3.8 |
Synonyms | CHEMBL490050 BDBM29530 |
Inchi Key | AYEILUFTEVTKGP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C28H39ClN4O4/c1-36-26-20-25(30)24(29)19-23(26)28(35)37-18-17-33-15-11-22(12-16-33)32-27(34)10-6-14-31-13-5-9-21-7-3-2-4-8-21/h2-4,7-8,19-20,22,31H,5-6,9-18,30H2,1H3,(H,32,34) |
PubChem CID | 42618251 |
ChEMBL | CHEMBL490050 |
IUPHAR | N/A |
BindingDB | 29530 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
17382 | 5-hydroxytryptamine receptor 4 | Q13639 | HTR4 | Homo sapiens (Human) | 388 |
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