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Name | CHEMBL589403 |
---|---|
Molecular formula | C19H22N2 |
IUPAC name | (2S,4R)-3,3,9-trimethyl-7-[(E)-3-phenylprop-2-enyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene |
Molecular weight | 278.399 |
Hydrogen bond acceptor | 1 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | BDBM50305383 (3bS,4aR)-3,4,4-Trimethyl-1-[(3-phenyl)-allyl]-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole |
Inchi Key | FSOFHLFLALDBIC-VMMSNCAXSA-N |
Inchi ID | InChI=1S/C19H22N2/c1-13-17-16(12-15-18(17)19(15,2)3)21(20-13)11-7-10-14-8-5-4-6-9-14/h4-10,15,18H,11-12H2,1-3H3/b10-7+/t15-,18-/m1/s1 |
PubChem CID | 46225233 |
ChEMBL | CHEMBL589403 |
IUPHAR | N/A |
BindingDB | 50305383 |
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 |
---|---|---|---|---|---|
86243 | Sphingosine 1-phosphate receptor 1 | P21453 | S1PR1 | Homo sapiens (Human) | 382 |
86242 | Sphingosine 1-phosphate receptor 3 | Q99500 | S1PR3 | Homo sapiens (Human) | 378 |
86245 | Sphingosine 1-phosphate receptor 4 | O95977 | S1PR4 | Homo sapiens (Human) | 384 |
86244 | Sphingosine 1-phosphate receptor 5 | Q9H228 | S1PR5 | Homo sapiens (Human) | 398 |
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