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Name | CHEMBL1809001 |
---|---|
Molecular formula | C28H30N4O2 |
IUPAC name | (6aR,9R)-9-(azepane-1-carbonyl)-N-phenyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide |
Molecular weight | 454.574 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 3.5 |
Synonyms | BDBM50349642 |
Inchi Key | HRLSOMUMSXEQJD-CJFMBICVSA-N |
Inchi ID | InChI=1S/C28H30N4O2/c33-27(31-13-6-1-2-7-14-31)20-15-23-22-11-8-12-24-26(22)19(17-29-24)16-25(23)32(18-20)28(34)30-21-9-4-3-5-10-21/h3-5,8-12,15,17,20,25,29H,1-2,6-7,13-14,16,18H2,(H,30,34)/t20-,25-/m1/s1 |
PubChem CID | 56660100 |
ChEMBL | CHEMBL1809001 |
IUPHAR | N/A |
BindingDB | 50349642 |
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 |
---|---|---|---|---|---|
122188 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
122189 | C-X-C chemokine receptor type 3 | O88410 | Cxcr3 | Mus musculus (Mouse) | 367 |
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