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Ligand

NameCHEMBL1080320
Molecular formulaC24H22N4O2S
IUPAC name[(3S)-4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl]-[4-(1,3-thiazol-5-yl)phenyl]methanone
Molecular weight430.526
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50312795
(S)-(4-(1H-indole-6-carbonyl)-3-methylpiperazin-1-yl)(4-(thiazol-5-yl)phenyl)methanone
Inchi KeyORTRFLDHPXAUHU-INIZCTEOSA-N
Inchi IDInChI=1S/C24H22N4O2S/c1-16-14-27(23(29)19-5-3-18(4-6-19)22-13-25-15-31-22)10-11-28(16)24(30)20-7-2-17-8-9-26-21(17)12-20/h2-9,12-13,15-16,26H,10-11,14H2,1H3/t16-/m0/s1
PubChem CID46880812
ChEMBLCHEMBL1080320
IUPHARN/A
BindingDB50312795
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
248834Growth hormone secretagogue receptor type 1O08725GhsrRattus norvegicus (Rat)364
248835Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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