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Name | CHEMBL139757 |
---|---|
Molecular formula | C33H37NO3S2 |
IUPAC name | 2-[1-[[(1R)-1-[3-[(E)-2-(5,7-dihydrothieno[3,4-b]pyridin-2-yl)ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 559.783 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 5.8 |
Synonyms | BDBM50069375 [1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(2-thia-4-aza-indan-5-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid (R)-2-(1-((1-(3-(2-(5,7-dihydrothieno[3,4-b]pyridin-2-yl)vinyl)phenyl)-3-(2-(2-hydroxypropan-2-yl)phenyl)propylthio)methyl)cyclopropyl)acetic acid |
Inchi Key | IISZUJHNGQJOEV-SZNWCZRISA-N |
Inchi ID | InChI=1S/C33H37NO3S2/c1-32(2,37)28-9-4-3-7-24(28)12-15-30(39-22-33(16-17-33)19-31(35)36)25-8-5-6-23(18-25)10-13-27-14-11-26-20-38-21-29(26)34-27/h3-11,13-14,18,30,37H,12,15-17,19-22H2,1-2H3,(H,35,36)/b13-10+/t30-/m1/s1 |
PubChem CID | 44360643 |
ChEMBL | CHEMBL139757 |
IUPHAR | N/A |
BindingDB | 50069375 |
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 |
---|---|---|---|---|---|
134190 | Cysteinyl leukotriene receptor 1 | Q9Y271 | CYSLTR1 | Homo sapiens (Human) | 337 |
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