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Ligand

Name(+)-Butaclamol
Molecular formulaC25H31NO
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 weight361.529
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.0
Synonyms(+)-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 hydrochloride
(1S,6S,8S)-6-tert-butyl-3-azapentacyclo[11.8.1.0^{3,8}.0^{9,22}.0^{16,21}]docosa-9,11,13(22),16,18,20-hexaen-6-ol
(S)-(-)-3-(tert-butyl)-(3S,4aS,13bS)-2,3,4,4a,8,9,13b,14-octahydro-1H-benzo[6,7]cyclohepta[de]pyrido[2,1-a]isoquinolin-3-ol
[ Show all ]
Inchi KeyZZJYIKPMDIWRSN-HWBMXIPRSA-N
Inchi IDInChI=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 CID37459
ChEMBLCHEMBL8514
IUPHAR62
BindingDB50008735
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 32
Page:  / 2 

GLASS IDNameUniProtGeneSpeciesLength
4412045-hydroxytryptamine receptor 1AP08908HTR1AHomo sapiens (Human)422
4412155-hydroxytryptamine receptor 1FP30939HTR1FHomo sapiens (Human)366
4412105-hydroxytryptamine receptor 2AP28223HTR2AHomo sapiens (Human)471
5573005-hydroxytryptamine receptor 2AP14842Htr2aRattus norvegicus (Rat)471
4412185-hydroxytryptamine receptor 2CP08909Htr2cRattus norvegicus (Rat)460
4412225-hydroxytryptamine receptor 2CP28335HTR2CHomo sapiens (Human)458
4412165-hydroxytryptamine receptor 6Q9R1C8Htr6Mus musculus (Mouse)440
4412095-hydroxytryptamine receptor 7P32305Htr7Rattus norvegicus (Rat)448
4412205-hydroxytryptamine receptor 7P32304Htr7Mus musculus (Mouse)448
5573025-hydroxytryptamine receptor 7P50407HTR7Cavia porcellus (Guinea pig)446
557304Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
441212Alpha-2A adrenergic receptorP08913ADRA2AHomo sapiens (Human)450
441200Alpha-2B adrenergic receptorP19328Adra2bRattus norvegicus (Rat)453
441199Alpha-2C adrenergic receptorP22086Adra2cRattus norvegicus (Rat)458
441198D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
441201D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
441203D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
441221D(1A) dopamine receptorQ61616Drd1Mus musculus (Mouse)446
441206D(1B) dopamine receptorP21918DRD5Homo sapiens (Human)477
441219D(1B) dopamine receptorP25115Drd5Rattus norvegicus (Rat)475

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