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Ligand

NameCHEMBL544814
Molecular formulaC18H21NO2S
IUPAC name(1R,10S)-15-propyl-14-thia-11-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17),15-pentaene-4,5-diol
Molecular weight315.431
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.4
Synonyms(5aS,11bR)-2-Propyl-4,5,5a,6,7,11b-hexahydro-3-thia-5-aza-cyclopenta[c]phenanthrene-9,10-diol; hydrochloride
BDBM50033115
SCHEMBL7006239
2-Propyl-4,5,5aalpha,6,7,11bbeta-hexahydro-3-thia-5-aza-3H-cyclopenta[c]phenanthrene-9,10-diol
CHEMBL39230
Inchi KeyREHAKLRYABHSQJ-KBXCAEBGSA-N
Inchi IDInChI=1S/C18H21NO2S/c1-2-3-11-7-13-17(22-11)9-19-14-5-4-10-6-15(20)16(21)8-12(10)18(13)14/h6-8,14,18-21H,2-5,9H2,1H3/t14-,18+/m0/s1
PubChem CID9796958
ChEMBLN/A
IUPHARN/A
BindingDB50033115
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: 5
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
294093D(1) dopamine receptorP35406Carassius auratus (Goldfish)363
294090D(1A) dopamine receptorP21728DRD1Homo sapiens (Human)446
294091D(1A) dopamine receptorP18901Drd1Rattus norvegicus (Rat)446
294092D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
294094D(2) dopamine receptorP61169Drd2Rattus norvegicus (Rat)444

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