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Name | CHEMBL3955736 |
---|---|
Molecular formula | C30H29F2NO4 |
IUPAC name | 2-[3-[5-fluoro-2-[2-[1-(4-fluorophenyl)cyclobutyl]acetyl]-3,4-dihydro-1H-isoquinolin-8-yl]-4-methoxyphenyl]acetic acid |
Molecular weight | 505.562 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 5.6 |
Synonyms | US9255090, 251 BDBM205782 SCHEMBL15056006 |
Inchi Key | ACXKFTYVDIBZMD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H29F2NO4/c1-37-27-10-3-19(16-29(35)36)15-24(27)22-8-9-26(32)23-11-14-33(18-25(22)23)28(34)17-30(12-2-13-30)20-4-6-21(31)7-5-20/h3-10,15H,2,11-14,16-18H2,1H3,(H,35,36) |
PubChem CID | 89648599 |
ChEMBL | CHEMBL3955736 |
IUPHAR | N/A |
BindingDB | 205782 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
517327 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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