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Name | CHEMBL182367 |
---|---|
Molecular formula | C25H16ClF6NO2S |
IUPAC name | 2-[5-[3-(5-chloro-2-phenylmethoxyphenyl)thiophen-2-yl]pyridin-3-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol |
Molecular weight | 543.908 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 1 |
XlogP | 7.1 |
Synonyms | BDBM50160916 2-{5-[3-(2-Benzyloxy-5-chloro-phenyl)-thiophen-2-yl]-pyridin-3-yl}-1,1,1,3,3,3-hexafluoro-propan-2-ol |
Inchi Key | AJGJMWUDDSWHOG-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C25H16ClF6NO2S/c26-18-6-7-21(35-14-15-4-2-1-3-5-15)20(11-18)19-8-9-36-22(19)16-10-17(13-33-12-16)23(34,24(27,28)29)25(30,31)32/h1-13,34H,14H2 |
PubChem CID | 44392477 |
ChEMBL | CHEMBL182367 |
IUPHAR | N/A |
BindingDB | 50160916 |
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 |
---|---|---|---|---|---|
6892 | Prostaglandin E2 receptor EP1 subtype | P34995 | PTGER1 | Homo sapiens (Human) | 402 |
6891 | Thromboxane A2 receptor | P21731 | TBXA2R | Homo sapiens (Human) | 343 |
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