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Name | CHEMBL314340 |
---|---|
Molecular formula | C33H34ClNO3S2 |
IUPAC name | 2-[1-[[(1R)-1-[3-[(E)-2-(2-chlorothieno[3,2-b]pyridin-5-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 592.209 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 7.8 |
Synonyms | BDBM50285673 (1-{(R)-1-{3-[(E)-2-(2-Chloro-thieno[3,2-b]pyridin-5-yl)-vinyl]-phenyl}-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid |
Inchi Key | IGUFQFBMEPZVOT-LKXQCNMVSA-N |
Inchi ID | InChI=1S/C33H34ClNO3S2/c1-32(2,38)26-9-4-3-7-23(26)11-14-28(39-21-33(16-17-33)20-31(36)37)24-8-5-6-22(18-24)10-12-25-13-15-29-27(35-25)19-30(34)40-29/h3-10,12-13,15,18-19,28,38H,11,14,16-17,20-21H2,1-2H3,(H,36,37)/b12-10+/t28-/m1/s1 |
PubChem CID | 15290705 |
ChEMBL | CHEMBL314340 |
IUPHAR | N/A |
BindingDB | 50285673 |
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 |
---|---|---|---|---|---|
132893 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
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