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Name | CHEMBL464811 |
---|---|
Molecular formula | C32H38ClN5O |
IUPAC name | 3-chloro-6-[4-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperazin-1-yl]-11H-benzo[b][1,4]benzodiazepine |
Molecular weight | 544.14 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 5.8 |
Synonyms | BDBM50277099 8-Chloro-11-{4-[4-(3-piperidin-1-yl-propoxy)-benzyl]-piperazin-1-yl}-5H-dibenzo[b,e][1,4]diazepine |
Inchi Key | CILDROBPHGWMGB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C32H38ClN5O/c33-26-11-14-30-31(23-26)35-32(28-7-2-3-8-29(28)34-30)38-20-18-37(19-21-38)24-25-9-12-27(13-10-25)39-22-6-17-36-15-4-1-5-16-36/h2-3,7-14,23,34H,1,4-6,15-22,24H2 |
PubChem CID | 135986088 |
ChEMBL | CHEMBL464811 |
IUPHAR | N/A |
BindingDB | 50277099 |
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 |
---|---|---|---|---|---|
558590 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
558588 | D(1B) dopamine receptor | P21918 | DRD5 | Homo sapiens (Human) | 477 |
558586 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
558591 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
558589 | Histamine H1 receptor | P35367 | HRH1 | Homo sapiens (Human) | 487 |
558587 | Histamine H3 receptor | Q9Y5N1 | HRH3 | Homo sapiens (Human) | 445 |
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