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Name | CHEMBL232359 |
---|---|
Molecular formula | C29H39ClN6O5 |
IUPAC name | [(6R,9R,12S)-6-[(4-chlorophenyl)methyl]-7,10,13-trioxo-9-propan-2-yl-2-oxa-5,8,11,14-tetrazabicyclo[16.4.0]docosa-1(22),18,20-trien-12-yl]methylurea |
Molecular weight | 587.118 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 6 |
XlogP | 3.2 |
Synonyms | {[(5R,8R,11S)-5-[(4-chlorophenyl)methyl]-6,9,12-trioxo-8-(propan-2-yl)-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}urea BDBM50214271 SCHEMBL13392512 |
Inchi Key | BMHBWTHUOWRLMU-GIFXNVAJSA-N |
Inchi ID | InChI=1S/C29H39ClN6O5/c1-18(2)25-28(39)35-23(17-34-29(31)40)26(37)33-13-5-7-20-6-3-4-8-24(20)41-15-14-32-22(27(38)36-25)16-19-9-11-21(30)12-10-19/h3-4,6,8-12,18,22-23,25,32H,5,7,13-17H2,1-2H3,(H,33,37)(H,35,39)(H,36,38)(H3,31,34,40)/t22-,23+,25-/m1/s1 |
PubChem CID | 44432978 |
ChEMBL | CHEMBL232359 |
IUPHAR | N/A |
BindingDB | 50214271 |
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 |
---|---|---|---|---|---|
27462 | Motilin receptor | O43193 | MLNR | Homo sapiens (Human) | 412 |
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