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Name | CHEMBL287931 |
---|---|
Molecular formula | C21H25NO2S |
IUPAC name | (1S,10S)-15-(cyclopentylmethyl)-16-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),14-pentaene-4,5-diol |
Molecular weight | 355.496 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 4.7 |
Synonyms | BDBM50057844 SCHEMBL7007044 2-(Cyclopentylmethyl)-4,5,5aalpha,6,7,11bbeta-hexahydro-1-thia-5-aza-1H-cyclopenta[c]phenanthrene-9,10-diol (5aS,11bS)-2-Cyclopentylmethyl-4,5,5a,6,7,11b-hexahydro-1-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol |
Inchi Key | TZIQBANCPDRLOK-PXNSSMCTSA-N |
Inchi ID | InChI=1S/C21H25NO2S/c23-18-9-13-5-6-17-20(16(13)10-19(18)24)21-14(11-22-17)8-15(25-21)7-12-3-1-2-4-12/h8-10,12,17,20,22-24H,1-7,11H2/t17-,20-/m0/s1 |
PubChem CID | 10689581 |
ChEMBL | CHEMBL287931 |
IUPHAR | N/A |
BindingDB | 50057844 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
331129 | D(1) dopamine receptor | P35406 | Carassius auratus (Goldfish) | 363 | |
331130 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
331128 | D(2) dopamine receptor | P61169 | Drd2 | Rattus norvegicus (Rat) | 444 |
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