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Name | CHEMBL276013 |
---|---|
Molecular formula | C28H43N5O2 |
IUPAC name | (6aR,9R,10aR)-2-tert-butyl-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide |
Molecular weight | 481.685 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 4.4 |
Synonyms | BDBM50070193 1-((6aR,9R,10aR)-2-tert-Butyl-7-methyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline-9-carbonyl)-1-(3-dimethylamino-propyl)-3-ethyl-urea |
Inchi Key | BNMXUFDTDMYUGI-ZILOHOTNSA-N |
Inchi ID | InChI=1S/C28H43N5O2/c1-8-29-27(35)33(11-9-10-31(5)6)26(34)19-12-21-22-14-20(28(2,3)4)15-23-25(22)18(16-30-23)13-24(21)32(7)17-19/h14-16,19,21,24,30H,8-13,17H2,1-7H3,(H,29,35)/t19-,21-,24-/m1/s1 |
PubChem CID | 44269165 |
ChEMBL | CHEMBL276013 |
IUPHAR | N/A |
BindingDB | 50070193 |
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 |
---|---|---|---|---|---|
28263 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
28265 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
28264 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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