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Name | CHEMBL3962850 |
---|---|
Molecular formula | C31H34F3N5O6S |
IUPAC name | 1-[3,5-dimethyl-4-[2-[[4-oxo-2-[4-(trifluoromethoxy)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]sulfonyl]ethyl]phenyl]-1,3-diazaspiro[4.4]nonane-2,4-dione |
Molecular weight | 661.697 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 2 |
XlogP | 4.2 |
Synonyms | BDBM64564 SCHEMBL17104841 US9428505, Compound 8 |
Inchi Key | XRQFZVXCVAFCOM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H34F3N5O6S/c1-19-17-22(39-28(42)36-27(41)30(39)10-3-4-11-30)18-20(2)24(19)9-16-46(43,44)38-14-12-29(13-15-38)26(40)35-25(37-29)21-5-7-23(8-6-21)45-31(32,33)34/h5-8,17-18H,3-4,9-16H2,1-2H3,(H,35,37,40)(H,36,41,42) |
PubChem CID | 76283959 |
ChEMBL | CHEMBL3962850 |
IUPHAR | N/A |
BindingDB | 64564 |
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 |
---|---|---|---|---|---|
535703 | Parathyroid hormone/parathyroid hormone-related peptide receptor | P25961 | Pth1r | Rattus norvegicus (Rat) | 591 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417