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Name | [2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]dimethylammonium 3-carboxypropanoate monohydrate |
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Molecular formula | C20H33NO7 |
IUPAC name | [2-(1-hydroxycyclohexyl)-2-(4-hydroxyphenyl)ethyl]-dimethylazanium;4-hydroxy-4-oxobutanoate;hydrate |
Molecular weight | 399.484 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 5 |
XlogP | None |
Synonyms | N/A |
Inchi Key | PWPDEXVGKDEKTE-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C16H25NO2.C4H6O4.H2O/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;5-3(6)1-2-4(7)8;/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8);1H2 |
PubChem CID | 134715671 |
ChEMBL | N/A |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
270666 | Adenosine receptor A1 | P30542 | ADORA1 | Homo sapiens (Human) | 326 |
270670 | Cannabinoid receptor 1 | P21554 | CNR1 | Homo sapiens (Human) | 472 |
270663 | Cannabinoid receptor 2 | P34972 | CNR2 | Homo sapiens (Human) | 360 |
270664 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
270665 | D(2) dopamine receptor | P14416 | DRD2 | Homo sapiens (Human) | 443 |
270667 | Histamine H1 receptor | P30546 | HRH1 | Bos taurus (Bovine) | 491 |
270669 | Histamine H2 receptor | P47747 | HRH2 | Cavia porcellus (Guinea pig) | 359 |
270671 | Muscarinic acetylcholine receptor M1 | P11229 | CHRM1 | Homo sapiens (Human) | 460 |
270668 | Muscarinic acetylcholine receptor M2 | P08172 | CHRM2 | Homo sapiens (Human) | 466 |
270672 | Muscarinic acetylcholine receptor M3 | P20309 | CHRM3 | Homo sapiens (Human) | 590 |
270662 | Muscarinic acetylcholine receptor M4 | P08173 | CHRM4 | Homo sapiens (Human) | 479 |
270661 | Muscarinic acetylcholine receptor M5 | P08912 | CHRM5 | Homo sapiens (Human) | 532 |
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