You can:
Name | CHEMBL203166 |
---|---|
Molecular formula | C28H30F4N4O2 |
IUPAC name | 1-[(1R,3R,6S)-6-(3-cyanophenyl)-3-bicyclo[4.1.0]heptanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]urea |
Molecular weight | 530.568 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 2 |
XlogP | 4.6 |
Synonyms | BDBM50184933 6-(3-cyano-phenyl)-bicyclo[4.1.0]hept-3-yl]-3-(4-fluoro-3-trifluoromethyl-phenyl)-1-[2-((S)-3-hydroxy-pyrrolidin-1-yl)-ethyl]-urea |
Inchi Key | IDIPINAYGICHHM-ONLLFZDPSA-N |
Inchi ID | InChI=1S/C28H30F4N4O2/c29-25-5-4-21(14-24(25)28(30,31)32)34-26(38)36(11-10-35-9-7-23(37)17-35)22-6-8-27(15-20(27)13-22)19-3-1-2-18(12-19)16-33/h1-5,12,14,20,22-23,37H,6-11,13,15,17H2,(H,34,38)/t20-,22+,23-,27+/m0/s1 |
PubChem CID | 44409527 |
ChEMBL | CHEMBL203166 |
IUPHAR | N/A |
BindingDB | 50184933 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
You can:
GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
130502 | Melanin-concentrating hormone receptor 1 | Q8JZL2 | Mchr1 | Mus musculus (Mouse) | 353 |
130503 | Melanin-concentrating hormone receptor 1 | Q99705 | MCHR1 | Homo sapiens (Human) | 422 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417