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Name | CHEMBL43821 |
---|---|
Molecular formula | C35H36ClNO3S2 |
IUPAC name | 2-[1-[[(1R)-1-[3-[(E)-2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]ethenyl]phenyl]-3-[2-(2-hydroxypropan-2-yl)phenyl]propyl]sulfanylmethyl]cyclopropyl]acetic acid |
Molecular weight | 618.247 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 8.1 |
Synonyms | BDBM50284891 (1-{(R)-1-(3-{(E)-2-[4-(4-Chloro-phenyl)-thiazol-2-yl]-vinyl}-phenyl)-3-[2-(1-hydroxy-1-methyl-ethyl)-phenyl]-propylsulfanylmethyl}-cyclopropyl)-acetic acid |
Inchi Key | AHQZELTWZVBLCX-ZBJMMJAPSA-N |
Inchi ID | InChI=1S/C35H36ClNO3S2/c1-34(2,40)29-9-4-3-7-25(29)13-16-31(42-23-35(18-19-35)21-33(38)39)27-8-5-6-24(20-27)10-17-32-37-30(22-41-32)26-11-14-28(36)15-12-26/h3-12,14-15,17,20,22,31,40H,13,16,18-19,21,23H2,1-2H3,(H,38,39)/b17-10+/t31-/m1/s1 |
PubChem CID | 44288319 |
ChEMBL | CHEMBL43821 |
IUPHAR | N/A |
BindingDB | 50284891 |
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 |
---|---|---|---|---|---|
5814 | Cysteinyl leukotriene receptor 1 | Q2NNR5 | CYSLTR1 | Cavia porcellus (Guinea pig) | 340 |
zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218