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Name | CHEMBL3770278 |
---|---|
Molecular formula | C18H19ClN4O3S |
IUPAC name | 2-[1-[5-(3-chloro-4-propan-2-yloxyphenyl)-1,3,4-thiadiazol-2-yl]-3,5-dimethylpyrazol-4-yl]acetic acid |
Molecular weight | 406.885 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 1 |
XlogP | 4.0 |
Synonyms | BDBM50149555 |
Inchi Key | AJIKYUOKNHOLKA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H19ClN4O3S/c1-9(2)26-15-6-5-12(7-14(15)19)17-20-21-18(27-17)23-11(4)13(8-16(24)25)10(3)22-23/h5-7,9H,8H2,1-4H3,(H,24,25) |
PubChem CID | 127029099 |
ChEMBL | CHEMBL3770278 |
IUPHAR | N/A |
BindingDB | 50149555 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
521650 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
521651 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
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