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Name | CHEMBL396413 |
---|---|
Molecular formula | C30H40F3N7O4 |
IUPAC name | 2-[[(6R,9R,12S)-7,10,13-trioxo-9-propan-2-yl-6-[[3-(trifluoromethyl)phenyl]methyl]-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-12-yl]methyl]guanidine |
Molecular weight | 619.69 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 6 |
XlogP | 2.6 |
Synonyms | 1-{[(5R,8R,11S)-6,9,12-trioxo-8-(propan-2-yl)-5-{[3-(trifluoromethyl)phenyl]methyl}-3,4,5,6,7,8,9,10,11,12,13,14,15,16-tetradecahydro-2H-1,4,7,10,13-benzoxatetrazacyclooctadecin-11-yl]methyl}guanidine BDBM50214264 SCHEMBL13392340 |
Inchi Key | FOPMEOGNSDLKOM-GIFXNVAJSA-N |
Inchi ID | InChI=1S/C30H40F3N7O4/c1-18(2)25-28(43)39-23(17-38-29(34)35)26(41)37-12-6-9-20-8-3-4-11-24(20)44-14-13-36-22(27(42)40-25)16-19-7-5-10-21(15-19)30(31,32)33/h3-5,7-8,10-11,15,18,22-23,25,36H,6,9,12-14,16-17H2,1-2H3,(H,37,41)(H,39,43)(H,40,42)(H4,34,35,38)/t22-,23+,25-/m1/s1 |
PubChem CID | 44432977 |
ChEMBL | CHEMBL396413 |
IUPHAR | N/A |
BindingDB | 50214264 |
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 |
---|---|---|---|---|---|
83477 | Motilin receptor | O43193 | MLNR | Homo sapiens (Human) | 412 |
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