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Name | CHEMBL42410 |
---|---|
Molecular formula | C34H37NO4S2 |
IUPAC name | 2-[1-[[(1R)-3-[2-(2-hydroxypropan-2-yl)phenyl]-1-[3-[(E)-2-(6-methoxy-1,3-benzothiazol-2-yl)ethenyl]phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 587.793 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 7.3 |
Synonyms | [1-((R)-3-[2-(1-Hydroxy-1-methyl-ethyl)-phenyl]-1-{3-[(E)-2-(6-methoxy-benzothiazol-2-yl)-vinyl]-phenyl}-propylsulfanylmethyl)-cyclopropyl]-acetic acid BDBM50284898 |
Inchi Key | DRZSYKAOSUWODQ-KPHCWXNXSA-N |
Inchi ID | InChI=1S/C34H37NO4S2/c1-33(2,38)27-10-5-4-8-24(27)12-15-29(40-22-34(17-18-34)21-32(36)37)25-9-6-7-23(19-25)11-16-31-35-28-14-13-26(39-3)20-30(28)41-31/h4-11,13-14,16,19-20,29,38H,12,15,17-18,21-22H2,1-3H3,(H,36,37)/b16-11+/t29-/m1/s1 |
PubChem CID | 44288320 |
ChEMBL | CHEMBL42410 |
IUPHAR | N/A |
BindingDB | 50284898 |
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 |
---|---|---|---|---|---|
67405 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
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