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Name | CHEMBL386036 |
---|---|
Molecular formula | C28H36N4O6 |
IUPAC name | (6R,9R,12S,16E)-12-(hydroxymethyl)-6-[(4-hydroxyphenyl)methyl]-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),16,18,20-tetraene-7,10,13-trione |
Molecular weight | 524.618 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 6 |
XlogP | 2.8 |
Synonyms | BDBM50199376 (9R,12R,15S)-9-(4-hydroxy-benzyl)-15-hydroxymethyl-12-isopropyl-6,7,8,9,11,12,14,15,17,18-decahydro-5-oxa-8,11,14,17-tetraaza-benzocyclooctadecene-10,13,16-trione |
Inchi Key | CQYJJDQNOOMWMR-NQWXHHCGSA-N |
Inchi ID | InChI=1S/C28H36N4O6/c1-18(2)25-28(37)31-23(17-33)26(35)30-13-5-7-20-6-3-4-8-24(20)38-15-14-29-22(27(36)32-25)16-19-9-11-21(34)12-10-19/h3-12,18,22-23,25,29,33-34H,13-17H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)/b7-5+/t22-,23+,25-/m1/s1 |
PubChem CID | 11995156 |
ChEMBL | CHEMBL386036 |
IUPHAR | N/A |
BindingDB | 50199376 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
48585 | Motilin receptor | O43193 | MLNR | Homo sapiens (Human) | 412 |
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