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Name | CHEMBL2035986 |
---|---|
Molecular formula | C32H32F2N6O3 |
IUPAC name | 2-[(8R)-8-(3,5-difluorophenyl)-8-ethyl-10-oxo-6,9-diazaspiro[4.5]decan-9-yl]-N-[(3S)-2-oxospiro[1H-pyrrolo[2,3-b]pyridine-3,6'-5,7-dihydrocyclopenta[b]pyridine]-3'-yl]acetamide |
Molecular weight | 586.644 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 2.4 |
Synonyms | BDBM50385310 |
Inchi Key | YYIRLNHPNVBRKV-CDZUIXILSA-N |
Inchi ID | InChI=1S/C32H32F2N6O3/c1-2-32(20-11-21(33)13-22(34)12-20)18-37-31(7-3-4-8-31)29(43)40(32)17-26(41)38-23-10-19-14-30(15-25(19)36-16-23)24-6-5-9-35-27(24)39-28(30)42/h5-6,9-13,16,37H,2-4,7-8,14-15,17-18H2,1H3,(H,38,41)(H,35,39,42)/t30-,32-/m0/s1 |
PubChem CID | 70683851 |
ChEMBL | CHEMBL2035986 |
IUPHAR | N/A |
BindingDB | 50385310 |
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 |
---|---|---|---|---|---|
422273 | Calcitonin gene-related peptide type 1 receptor | Q63118 | Calcrl | Rattus norvegicus (Rat) | 464 |
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