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Ligand

NameCHEMBL1203301
Molecular formulaC22H27ClN4O5S
IUPAC nameN-[1'-[2-(2,1,3-benzoxadiazol-5-yl)ethyl]-4-hydroxyspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl]methanesulfonamide;hydrochloride
Molecular weight494.991
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogPNone
Synonyms(+/-)-3,4-Dihydro-1'-[2-(benzofurazan-5-yl)ethyl]-6-methanesulfonamido-spiro[(2H)-1-benzopyran-2,4'-piperidine]-4-ol hydrochloride
DTIIARNOWDUZRT-UHFFFAOYSA-N
SCHEMBL8563291
Inchi KeyDTIIARNOWDUZRT-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H26N4O5S.ClH/c1-32(28,29)25-16-3-5-21-17(13-16)20(27)14-22(30-21)7-10-26(11-8-22)9-6-15-2-4-18-19(12-15)24-31-23-18;/h2-5,12-13,20,25,27H,6-11,14H2,1H3;1H
PubChem CID19045531
ChEMBLCHEMBL1203301
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
68345Alpha-1A adrenergic receptorP18130ADRA1ABos taurus (Bovine)466

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