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Ligand

NameCHEMBL105071
Molecular formulaC27H36N2O4S
IUPAC name4-tert-butyl-N-[(3S)-1-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]pyrrolidin-3-yl]benzenesulfonamide
Molecular weight484.655
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.0
SynonymsN-[(3S)-1-[3-[4-(Cyclopropylcarbonyl)phenoxy]propyl]pyrrolidine-3beta-yl]-4-tert-butylbenzenesulfonamide
4-tert-Butyl-N-{(S)-1-[3-(4-cyclopropanecarbonyl-phenoxy)-propyl]-pyrrolidin-3-yl}-benzenesulfonamide
BDBM50119725
Inchi KeyBTXYSVCTMDAUJN-QHCPKHFHSA-N
Inchi IDInChI=1S/C27H36N2O4S/c1-27(2,3)22-9-13-25(14-10-22)34(31,32)28-23-15-17-29(19-23)16-4-18-33-24-11-7-21(8-12-24)26(30)20-5-6-20/h7-14,20,23,28H,4-6,15-19H2,1-3H3/t23-/m0/s1
PubChem CID44334369
ChEMBLCHEMBL105071
IUPHARN/A
BindingDB50119725
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
32802Histamine H1 receptorP35367HRH1Homo sapiens (Human)487
32801Histamine H2 receptorP25021HRH2Homo sapiens (Human)359
32803Histamine H3 receptorQ9QYN8Hrh3Rattus norvegicus (Rat)445

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