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Ligand

NameSMR000160170
Molecular formulaC13H22BrN5OS
IUPAC name1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-butylthiourea
Molecular weight376.317
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogP2.1
SynonymsSTL394370
1-[3-(4-bromo-3,5-dimethyl-pyrazol-1-yl)propanoylamino]-3-butyl-thiourea
HMS2460B15
2-[3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]-N-butylhydrazinecarbothioamide
MolPort-001-642-555
[ Show all ]
Inchi KeyAJROVUWRGYOUKB-UHFFFAOYSA-N
Inchi IDInChI=1S/C13H22BrN5OS/c1-4-5-7-15-13(21)17-16-11(20)6-8-19-10(3)12(14)9(2)18-19/h4-8H2,1-3H3,(H,16,20)(H2,15,17,21)
PubChem CID3711958
ChEMBLCHEMBL1370701
IUPHARN/A
BindingDB67193
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
7169Apelin receptorP35414APLNRHomo sapiens (Human)380
7168Beta-2 adrenergic receptorP07550ADRB2Homo sapiens (Human)413
7170Neuropeptide S receptorQ6W5P4NPSR1Homo sapiens (Human)371
7167Type-1 angiotensin II receptorP30556AGTR1Homo sapiens (Human)359

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