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Name | CHEMBL296927 |
---|---|
Molecular formula | C20H18ClN3O8S2 |
IUPAC name | 2-[6-[[3-[(4-chloro-3-methyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carbonyl]amino]-1,3-benzodioxol-5-yl]ethyl acetate |
Molecular weight | 527.947 |
Hydrogen bond acceptor | 11 |
Hydrogen bond donor | 2 |
XlogP | 3.1 |
Synonyms | BDBM50058099 SCHEMBL4632354 Acetic acid 2-(6-{[3-(4-chloro-3-methyl-isoxazol-5-ylsulfamoyl)-thiophene-2-carbonyl]-amino}-benzo[1,3]dioxol-5-yl)-ethyl ester |
Inchi Key | AOMQIATVHQSAEZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C20H18ClN3O8S2/c1-10-17(21)20(32-23-10)24-34(27,28)16-4-6-33-18(16)19(26)22-13-8-15-14(30-9-31-15)7-12(13)3-5-29-11(2)25/h4,6-8,24H,3,5,9H2,1-2H3,(H,22,26) |
PubChem CID | 10279940 |
ChEMBL | CHEMBL296927 |
IUPHAR | N/A |
BindingDB | 50058099 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
10368 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
10367 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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