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Name | CHEMBL15637 |
---|---|
Molecular formula | C23H27Cl2N3OS |
IUPAC name | 6-[4-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]butyl]-3-methyl-1,3-benzothiazol-2-one |
Molecular weight | 464.449 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 0 |
XlogP | 5.4 |
Synonyms | 3-Methyl-6-[4-[4-(2,4-dichlorobenzyl)piperazino]butyl]benzothiazoline-2-one BDBM50111633 SCHEMBL9232854 6-{4-[4-(2,4-Dichloro-benzyl)-piperazin-1-yl]-butyl}-3-methyl-3H-benzothiazol-2-one |
Inchi Key | BHVDELPYDQJPHR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H27Cl2N3OS/c1-26-21-8-5-17(14-22(21)30-23(26)29)4-2-3-9-27-10-12-28(13-11-27)16-18-6-7-19(24)15-20(18)25/h5-8,14-15H,2-4,9-13,16H2,1H3 |
PubChem CID | 24835442 |
ChEMBL | CHEMBL15637 |
IUPHAR | N/A |
BindingDB | 50111633 |
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 |
---|---|---|---|---|---|
24120 | 5-hydroxytryptamine receptor 1A | P19327 | Htr1a | Rattus norvegicus (Rat) | 422 |
24118 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
24117 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
24121 | Histamine H1 receptor | P31390 | Hrh1 | Rattus norvegicus (Rat) | 486 |
24119 | Muscarinic acetylcholine receptor M1 | P08482 | Chrm1 | Rattus norvegicus (Rat) | 460 |
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