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Name | CHEMBL601062 |
---|---|
Molecular formula | C21H21N3O |
IUPAC name | (E)-3-(1H-indol-4-yl)-1-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]prop-2-en-1-one |
Molecular weight | 331.419 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 4.1 |
Synonyms | BDBM50305381 NIBR-713 3-(1H-Indol-4-yl)-1-((3bS,4aR)-3,4,4-trimethyl-3b,4,4a,5-tetrahydro-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)-propenone |
Inchi Key | FUKOIAOTNSHHJQ-VUPXXRIVSA-N |
Inchi ID | InChI=1S/C21H21N3O/c1-12-19-17(11-15-20(19)21(15,2)3)24(23-12)18(25)8-7-13-5-4-6-16-14(13)9-10-22-16/h4-10,15,20,22H,11H2,1-3H3/b8-7+/t15-,20-/m1/s1 |
PubChem CID | 46224769 |
ChEMBL | CHEMBL601062 |
IUPHAR | N/A |
BindingDB | 50305381 |
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 |
---|---|---|---|---|---|
87506 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
87507 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
87509 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
87508 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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