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Name | CHEMBL3397077 |
---|---|
Molecular formula | C32H31FN4O2 |
IUPAC name | 2-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-4-(4-methylphenyl)pyrido[1,2-c]pyrimidine-1,3-dione |
Molecular weight | 522.624 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 5.2 |
Synonyms | BDBM50062151 |
Inchi Key | AJBVFXOBGJCYGI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H31FN4O2/c1-22-7-9-24(10-8-22)30-29-6-2-3-16-36(29)32(39)37(31(30)38)17-5-4-15-35-18-13-23(14-19-35)27-21-34-28-12-11-25(33)20-26(27)28/h2-3,6-13,16,20-21,34H,4-5,14-15,17-19H2,1H3 |
PubChem CID | 118726393 |
ChEMBL | CHEMBL3397077 |
IUPHAR | N/A |
BindingDB | 50062151 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
441969 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
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