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Name | Zalospirone |
---|---|
Molecular formula | C24H29N5O2 |
IUPAC name | (1R,2R,6S,7S,8S,11R)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatetracyclo[5.4.2.02,6.08,11]trideca-9,12-diene-3,5-dione |
Molecular weight | 419.529 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 1.4 |
Synonyms | (3ar,4r,4ar,6as,7s,7as)-2-{4-[4-(pyrimidin-2-yl)piperazin-1-yl]butyl}-3a,4,4a,6a,7,7a-hexahydro-1h-4,7-ethenocyclobuta[f]isoindole-1,3(2h)-dione D0OP8W Zalospironum 4,7-Etheno-1H-cyclobut(f)isoindole-1,3(2H)-dione, 3a,4,4a,6a,7,7a-hexahydro-2-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, (3aalpha,4alpha,4abeta,6abeta,7alpha,7aalpha)- UNII-0449O95Z1J [ Show all ] |
Inchi Key | AERLHOTUXIJQFV-RCPZPFRWSA-N |
Inchi ID | InChI=1S/C24H29N5O2/c30-22-20-18-6-7-19(17-5-4-16(17)18)21(20)23(31)29(22)11-2-1-10-27-12-14-28(15-13-27)24-25-8-3-9-26-24/h3-9,16-21H,1-2,10-15H2/t16-,17+,18-,19+,20-,21+ |
PubChem CID | 163925 |
ChEMBL | N/A |
IUPHAR | 58 |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
553260 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
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