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Name | Rauwolscine |
---|---|
Molecular formula | C21H26N2O3 |
IUPAC name | methyl (1S,15S,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
Molecular weight | 354.45 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.9 |
Synonyms | CHEMBL10347 DTXSID2045608 KBio2_004506 Methyl (16beta,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate Prestwick0_000577 [ Show all ] |
Inchi Key | BLGXFZZNTVWLAY-DIRVCLHFSA-N |
Inchi ID | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/t12-,15+,17+,18+,19+/m1/s1 |
PubChem CID | 643606 |
ChEMBL | CHEMBL10347 |
IUPHAR | 136, 223 |
BindingDB | 50026636 |
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 |
---|---|---|---|---|---|
26560 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
553395 | 5-hydroxytryptamine receptor 1B | P28222 | HTR1B | Homo sapiens (Human) | 390 |
553393 | 5-hydroxytryptamine receptor 1D | P28221 | HTR1D | Homo sapiens (Human) | 377 |
553394 | 5-hydroxytryptamine receptor 1E | P28566 | HTR1E | Homo sapiens (Human) | 365 |
553391 | 5-hydroxytryptamine receptor 2B | P41595 | HTR2B | Homo sapiens (Human) | 481 |
553392 | 5-hydroxytryptamine receptor 2B | P30994 | Htr2b | Rattus norvegicus (Rat) | 479 |
26551 | Adenosine receptor A2b | P29276 | Adora2b | Rattus norvegicus (Rat) | 332 |
26545 | Alpha-1A adrenergic receptor | O02824 | ADRA1A | Oryctolagus cuniculus (Rabbit) | 466 |
26553 | Alpha-1A adrenergic receptor | P43140 | Adra1a | Rattus norvegicus (Rat) | 466 |
26559 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
26561 | Alpha-1A adrenergic receptor | P18130 | ADRA1A | Bos taurus (Bovine) | 466 |
26557 | Alpha-1B adrenergic receptor | P35368 | ADRA1B | Homo sapiens (Human) | 520 |
26548 | Alpha-1D adrenergic receptor | P23944 | Adra1d | Rattus norvegicus (Rat) | 561 |
26555 | Alpha-1D adrenergic receptor | P25100 | ADRA1D | Homo sapiens (Human) | 572 |
26549 | Alpha-2A adrenergic receptor | Q28838 | ADRA2A | Bos taurus (Bovine) | 452 |
26552 | Alpha-2A adrenergic receptor | Q60474 | ADRA2A | Cavia porcellus (Guinea pig) | 450 |
26558 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
26546 | Alpha-2B adrenergic receptor | P18089 | ADRA2B | Homo sapiens (Human) | 450 |
26543 | Alpha-2C adrenergic receptor | P18825 | ADRA2C | Homo sapiens (Human) | 462 |
26556 | Alpha-2C adrenergic receptor | P22086 | Adra2c | Rattus norvegicus (Rat) | 458 |
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