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Name | CHEMBL31662 |
---|---|
Molecular formula | C27H22O5 |
IUPAC name | (2S,3S,4R,5R)-9-(4-ethylphenyl)-12-oxotetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6(11),7,9,13,15-hexaene-3,4-dicarboxylic acid |
Molecular weight | 426.468 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 4.5 |
Synonyms | BDBM50284706 5-(4-ethylphenyl)-7-oxo-(1R,2S)-2,2a,7,11b-tetrahydro-1H-dibenzo[a,e]cyclobuta[c]cycloheptene-1,2-dicarboxylic acid |
Inchi Key | AAQHGXPJHYKNDF-UARRHKHWSA-N |
Inchi ID | InChI=1S/C27H22O5/c1-2-14-7-9-15(10-8-14)16-11-12-18-20(13-16)25(28)19-6-4-3-5-17(19)21-22(18)24(27(31)32)23(21)26(29)30/h3-13,21-24H,2H2,1H3,(H,29,30)(H,31,32)/t21-,22+,23-,24+/m0/s1 |
PubChem CID | 44279370 |
ChEMBL | CHEMBL31662 |
IUPHAR | N/A |
BindingDB | 50284706 |
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 |
---|---|---|---|---|---|
440 | Endothelin receptor type B | P24530 | EDNRB | Homo sapiens (Human) | 442 |
439 | Endothelin-1 receptor | P25101 | EDNRA | Homo sapiens (Human) | 427 |
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