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Name | CHEMBL1806523 |
---|---|
Molecular formula | C26H26N4O2 |
IUPAC name | (6aR,9R)-N-phenyl-9-(pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxamide |
Molecular weight | 426.52 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 2 |
XlogP | 2.8 |
Synonyms | MSOSXJRGMKTMRH-WZONZLPQSA-N (6aR,9R)-9-(Pyrrolidine-1-carbonyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-7-carboxylic acid phenylamide SCHEMBL3186748 BDBM50349678 |
Inchi Key | MSOSXJRGMKTMRH-WZONZLPQSA-N |
Inchi ID | InChI=1S/C26H26N4O2/c31-25(29-11-4-5-12-29)18-13-21-20-9-6-10-22-24(20)17(15-27-22)14-23(21)30(16-18)26(32)28-19-7-2-1-3-8-19/h1-3,6-10,13,15,18,23,27H,4-5,11-12,14,16H2,(H,28,32)/t18-,23-/m1/s1 |
PubChem CID | 56673431 |
ChEMBL | CHEMBL1806523 |
IUPHAR | N/A |
BindingDB | 50349678 |
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 |
---|---|---|---|---|---|
213227 | C-X-C chemokine receptor type 3 | Q9JII9 | Cxcr3 | Rattus norvegicus (Rat) | 367 |
213228 | C-X-C chemokine receptor type 3 | P49682 | CXCR3 | Homo sapiens (Human) | 368 |
213229 | C-X-C chemokine receptor type 3 | O88410 | Cxcr3 | Mus musculus (Mouse) | 367 |
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