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Name | CHEMBL313544 |
---|---|
Molecular formula | C32H33Cl2NO4S2 |
IUPAC name | 2-[1-[[(1R)-1-[3-[(2,3-dichlorothieno[3,2-b]pyridin-5-yl)oxymethyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 630.639 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 7.9 |
Synonyms | (1-{(R)-1-[3-(2,3-Dichloro-thieno[3,2-b]pyridin-5-yloxymethyl)-phenyl]-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid BDBM50285687 |
Inchi Key | BSPOMGCNKIJSIE-XMMPIXPASA-N |
Inchi ID | InChI=1S/C32H33Cl2NO4S2/c1-31(2,38)23-9-4-3-7-21(23)10-11-24(40-19-32(14-15-32)17-27(36)37)22-8-5-6-20(16-22)18-39-26-13-12-25-29(35-26)28(33)30(34)41-25/h3-9,12-13,16,24,38H,10-11,14-15,17-19H2,1-2H3,(H,36,37)/t24-/m1/s1 |
PubChem CID | 44319782 |
ChEMBL | CHEMBL313544 |
IUPHAR | N/A |
BindingDB | 50285687 |
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 |
---|---|---|---|---|---|
31896 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
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