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Name | CHEMBL2035984 |
---|---|
Molecular formula | C30H27ClF2N6O3 |
IUPAC name | 2-[(8R)-8-(4-chloro-3,5-difluorophenyl)-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 | 593.032 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 2.3 |
Synonyms | BDBM50385312 |
Inchi Key | RFEWOLIROHKSKX-IADCTJSHSA-N |
Inchi ID | InChI=1S/C30H27ClF2N6O3/c31-25-20(32)9-16(10-21(25)33)23-14-36-30(5-1-2-6-30)28(42)39(23)15-24(40)37-18-8-17-11-29(12-22(17)35-13-18)19-4-3-7-34-26(19)38-27(29)41/h3-4,7-10,13,23,36H,1-2,5-6,11-12,14-15H2,(H,37,40)(H,34,38,41)/t23-,29-/m0/s1 |
PubChem CID | 70685987 |
ChEMBL | CHEMBL2035984 |
IUPHAR | N/A |
BindingDB | 50385312 |
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 |
---|---|---|---|---|---|
294696 | Calcitonin gene-related peptide type 1 receptor | Q63118 | Calcrl | Rattus norvegicus (Rat) | 464 |
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