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Name | CHEMBL3740778 |
---|---|
Molecular formula | C25H29ClF3N7O2S |
IUPAC name | 2-[[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]-[2-[4-(4-chloro-1H-indol-5-yl)piperazin-1-yl]ethyl]amino]acetonitrile;2,2,2-trifluoroacetic acid |
Molecular weight | 584.059 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 3 |
XlogP | None |
Synonyms | N/A |
Inchi Key | DBPJWAZLNMDUCJ-NTISSMGPSA-N |
Inchi ID | InChI=1S/C23H28ClN7S.C2HF3O2/c24-22-17-5-7-27-18(17)3-4-20(22)31-13-10-29(11-14-31)9-12-30(8-6-25)16-1-2-19-21(15-16)32-23(26)28-19;3-2(4,5)1(6)7/h3-5,7,16,27H,1-2,8-15H2,(H2,26,28);(H,6,7)/t16-;/m0./s1 |
PubChem CID | 127042371 |
ChEMBL | CHEMBL3740778 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
523150 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
523152 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
523151 | D(3) dopamine receptor | P35462 | DRD3 | Homo sapiens (Human) | 400 |
523153 | D(3) dopamine receptor | P19020 | Drd3 | Rattus norvegicus (Rat) | 446 |
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