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Name | CHEMBL2385112 |
---|---|
Molecular formula | C25H21ClN2O4S |
IUPAC name | 2-[1-[[2-(benzenesulfonyl)phenyl]methyl]-3-(4-chlorophenyl)-5-methylpyrazol-4-yl]acetic acid |
Molecular weight | 480.963 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 4.8 |
Synonyms | BDBM50434455 SCHEMBL8511244 |
Inchi Key | ANJCDBTZMIILAS-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H21ClN2O4S/c1-17-22(15-24(29)30)25(18-11-13-20(26)14-12-18)27-28(17)16-19-7-5-6-10-23(19)33(31,32)21-8-3-2-4-9-21/h2-14H,15-16H2,1H3,(H,29,30) |
PubChem CID | 67606899 |
ChEMBL | CHEMBL2385112 |
IUPHAR | N/A |
BindingDB | 50434455 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
9609 | Prostaglandin D2 receptor 2 | Q9Y5Y4 | PTGDR2 | Homo sapiens (Human) | 395 |
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