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Name | CHEMBL2037501 |
---|---|
Molecular formula | C29H36N4O4 |
IUPAC name | (3R,6R)-6-[(2S)-butan-2-yl]-3-(2,3-dihydro-1H-inden-2-yl)-1-[(1R)-1-(6-methylpyridin-3-yl)-2-morpholin-4-yl-2-oxoethyl]piperazine-2,5-dione |
Molecular weight | 504.631 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 3.1 |
Synonyms | BDBM50384803 |
Inchi Key | CBNDBZZUQVJBGD-MZNDLHKKSA-N |
Inchi ID | InChI=1S/C29H36N4O4/c1-4-18(2)25-27(34)31-24(23-15-20-7-5-6-8-21(20)16-23)28(35)33(25)26(22-10-9-19(3)30-17-22)29(36)32-11-13-37-14-12-32/h5-10,17-18,23-26H,4,11-16H2,1-3H3,(H,31,34)/t18-,24+,25+,26+/m0/s1 |
PubChem CID | 56950167 |
ChEMBL | CHEMBL2037501 |
IUPHAR | N/A |
BindingDB | 50384803 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
38023 | Oxytocin receptor | P30559 | OXTR | Homo sapiens (Human) | 389 |
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