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Name | (+)-Butaclamol |
---|---|
Molecular formula | C25H31NO |
IUPAC name | (1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.03,8.09,22.016,21]docosa-9,11,13(22),16,18,20-hexaen-6-ol |
Molecular weight | 361.529 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 1 |
XlogP | 5.0 |
Synonyms | UNII-A7A2802VNL component ZZJYIKPMDIWRSN-HWBMXIPRSA-N (+)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol 3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[4,5]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol ((+)-butaclamol) Biomol-NT_000018 CHEBI:109533 [ Show all ] |
Inchi Key | ZZJYIKPMDIWRSN-HWBMXIPRSA-N |
Inchi ID | InChI=1S/C25H31NO/c1-24(2,3)25(27)13-14-26-16-21-19-9-5-4-7-17(19)11-12-18-8-6-10-20(23(18)21)22(26)15-25/h4-10,21-22,27H,11-16H2,1-3H3/t21-,22-,25-/m0/s1 |
PubChem CID | 37459 |
ChEMBL | CHEMBL8514 |
IUPHAR | 62 |
BindingDB | 50008735 |
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 |
---|---|---|---|---|---|
441204 | 5-hydroxytryptamine receptor 1A | P08908 | HTR1A | Homo sapiens (Human) | 422 |
441215 | 5-hydroxytryptamine receptor 1F | P30939 | HTR1F | Homo sapiens (Human) | 366 |
441210 | 5-hydroxytryptamine receptor 2A | P28223 | HTR2A | Homo sapiens (Human) | 471 |
557300 | 5-hydroxytryptamine receptor 2A | P14842 | Htr2a | Rattus norvegicus (Rat) | 471 |
441218 | 5-hydroxytryptamine receptor 2C | P08909 | Htr2c | Rattus norvegicus (Rat) | 460 |
441222 | 5-hydroxytryptamine receptor 2C | P28335 | HTR2C | Homo sapiens (Human) | 458 |
441216 | 5-hydroxytryptamine receptor 6 | Q9R1C8 | Htr6 | Mus musculus (Mouse) | 440 |
441209 | 5-hydroxytryptamine receptor 7 | P32305 | Htr7 | Rattus norvegicus (Rat) | 448 |
441220 | 5-hydroxytryptamine receptor 7 | P32304 | Htr7 | Mus musculus (Mouse) | 448 |
557302 | 5-hydroxytryptamine receptor 7 | P50407 | HTR7 | Cavia porcellus (Guinea pig) | 446 |
557304 | Alpha-1A adrenergic receptor | P35348 | ADRA1A | Homo sapiens (Human) | 466 |
441212 | Alpha-2A adrenergic receptor | P08913 | ADRA2A | Homo sapiens (Human) | 450 |
441200 | Alpha-2B adrenergic receptor | P19328 | Adra2b | Rattus norvegicus (Rat) | 453 |
441199 | Alpha-2C adrenergic receptor | P22086 | Adra2c | Rattus norvegicus (Rat) | 458 |
441198 | D(1A) dopamine receptor | P18901 | Drd1 | Rattus norvegicus (Rat) | 446 |
441201 | D(1A) dopamine receptor | P21728 | DRD1 | Homo sapiens (Human) | 446 |
441203 | D(1A) dopamine receptor | Q95136 | DRD1 | Bos taurus (Bovine) | 446 |
441221 | D(1A) dopamine receptor | Q61616 | Drd1 | Mus musculus (Mouse) | 446 |
441206 | D(1B) dopamine receptor | P21918 | DRD5 | Homo sapiens (Human) | 477 |
441219 | D(1B) dopamine receptor | P25115 | Drd5 | Rattus norvegicus (Rat) | 475 |
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