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Name | CHEMBL2431247 |
---|---|
Molecular formula | C31H31F2N5O3 |
IUPAC name | 2-[(2R)-2-(3,5-difluorophenyl)-2,4,5,5-tetramethyl-6-oxopiperazin-1-yl]-N-[(2R)-2'-oxospiro[1,3-dihydroindene-2,3'-1H-pyrrolo[2,3-b]pyridine]-5-yl]acetamide |
Molecular weight | 559.618 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | BDBM50440790 SCHEMBL6343352 |
Inchi Key | BPUXOOPSWYLWIN-IOWSJCHKSA-N |
Inchi ID | InChI=1S/C31H31F2N5O3/c1-29(2)28(41)38(30(3,17-37(29)4)20-11-21(32)13-22(33)12-20)16-25(39)35-23-8-7-18-14-31(15-19(18)10-23)24-6-5-9-34-26(24)36-27(31)40/h5-13H,14-17H2,1-4H3,(H,35,39)(H,34,36,40)/t30-,31+/m0/s1 |
PubChem CID | 50939608 |
ChEMBL | CHEMBL2431247 |
IUPHAR | N/A |
BindingDB | 50440790 |
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 |
---|---|---|---|---|---|
29928 | Calcitonin gene-related peptide type 1 receptor | Q16602 | CALCRL | Homo sapiens (Human) | 461 |
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