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Name | CHEMBL1771111 |
---|---|
Molecular formula | C29H35N3O2S |
IUPAC name | 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-7-thiophen-2-yl-4,5-dihydro-3H-2-benzazepin-1-one |
Molecular weight | 489.678 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 5.4 |
Synonyms | BDBM50342705 2-[4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl]-2,3,4,5-tetrahydro-7-(2-thienyl)benzo[c]azepin-1-one |
Inchi Key | OXVZLPIGSCONSD-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C29H35N3O2S/c1-34-27-10-3-2-9-26(27)31-19-17-30(18-20-31)14-4-5-15-32-16-6-8-23-22-24(28-11-7-21-35-28)12-13-25(23)29(32)33/h2-3,7,9-13,21-22H,4-6,8,14-20H2,1H3 |
PubChem CID | 54581964 |
ChEMBL | CHEMBL1771111 |
IUPHAR | N/A |
BindingDB | 50342705 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
252883 | 5-hydroxytryptamine receptor 2A | P50129 | HTR2A | Sus scrofa (Pig) | 470 |
252884 | D(1A) dopamine receptor | P50130 | DRD1 | Sus scrofa (Pig) | 446 |
252882 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
252885 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
528761 | D(4) dopamine receptor | P21917 | DRD4 | Homo sapiens (Human) | 467 |
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