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Name | BDBM233338 |
---|---|
Molecular formula | C31H32ClNO5 |
IUPAC name | (4S)-6-chloro-7-[4-[2-(4-phenylcyclohexyl)ethylcarbamoyl]phenoxy]-3,4-dihydro-2H-chromene-4-carboxylic acid |
Molecular weight | 534.049 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 7.3 |
Synonyms | US9556139, 155 peak 2 |
Inchi Key | AIARQIUBZZHIRR-YNJPUODISA-N |
Inchi ID | InChI=1S/C31H32ClNO5/c32-27-18-26-25(31(35)36)15-17-37-28(26)19-29(27)38-24-12-10-23(11-13-24)30(34)33-16-14-20-6-8-22(9-7-20)21-4-2-1-3-5-21/h1-5,10-13,18-20,22,25H,6-9,14-17H2,(H,33,34)(H,35,36)/t20?,22?,25-/m0/s1 |
PubChem CID | 134822688 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | 233338 |
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 |
---|---|---|---|---|---|
557452 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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