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Name | CHEMBL296748 |
---|---|
Molecular formula | C39H43N7O7 |
IUPAC name | N-[(2S)-1-[[(2S)-1-amino-1-oxo-4-phenylbutan-2-yl]amino]-1-oxo-4-phenylbutan-2-yl]-2-(1,3-benzodioxol-5-ylmethyl)-1,3-dioxospiro[8H-[1,2,4]triazolo[1,2-a]pyridazine-5,4'-piperidine]-8-carboxamide |
Molecular weight | 721.815 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 3.5 |
Synonyms | BDBM50143038 SCHEMBL14441423 8''N-[1-[1-carbamoyl-3-phenyl-(1S)-propylcarbamoyl]-3-phenyl-(1S)-propyl]-2''-benzo[d][1,3]dioxol-5-ylmethyl-1'',3''-dioxospiro[hexahydropyridine-4,5''-(2'',3'',5'',8''-tetrahydro-1''H-[1,2,4]triazolo[1,2-a]pyridazine)]-8''-carboxamide |
Inchi Key | DEDGUNPNSQYCMN-XPZBDPFPSA-N |
Inchi ID | InChI=1S/C39H43N7O7/c40-34(47)29(14-11-26-7-3-1-4-8-26)42-35(48)30(15-12-27-9-5-2-6-10-27)43-36(49)31-17-18-39(19-21-41-22-20-39)46-38(51)44(37(50)45(31)46)24-28-13-16-32-33(23-28)53-25-52-32/h1-10,13,16-18,23,29-31,41H,11-12,14-15,19-22,24-25H2,(H2,40,47)(H,42,48)(H,43,49)/t29-,30-,31?/m0/s1 |
PubChem CID | 11181688 |
ChEMBL | CHEMBL296748 |
IUPHAR | N/A |
BindingDB | 50143038 |
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 |
---|---|---|---|---|---|
57677 | Motilin receptor | O43193 | MLNR | Homo sapiens (Human) | 412 |
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