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Name | CHEMBL262052 |
---|---|
Molecular formula | C39H69NO12 |
IUPAC name | (2R,3R,4S,11R,12S)-5-ethyl-11-[(3R)-4-[ethyl(methyl)amino]-3-hydroxy-6-methyloxan-2-yl]oxy-3-hydroxy-9-[(2R,4R,5S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-4-methoxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one |
Molecular weight | 743.976 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 3 |
XlogP | 3.3 |
Synonyms | BDBM50421369 |
Inchi Key | CVLATSXSEILGTD-DTZOFTIGSA-N |
Inchi ID | InChI=1S/C39H69NO12/c1-15-27-39(11,46-14)32(42)22(5)30-20(3)18-38(10,52-30)34(51-36-29(41)26(40(12)16-2)17-21(4)47-36)23(6)31(24(7)35(44)49-27)50-28-19-37(9,45-13)33(43)25(8)48-28/h21-29,31-34,36,41-43H,15-19H2,1-14H3/t21?,22-,23?,24?,25?,26?,27?,28-,29+,31?,32+,33-,34+,36?,37+,38-,39+/m0/s1 |
PubChem CID | 44380610 |
ChEMBL | CHEMBL262052 |
IUPHAR | N/A |
BindingDB | 50421369 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
51575 | Motilin receptor | O43193 | MLNR | Homo sapiens (Human) | 412 |
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