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Name | SMR000160170 |
---|---|
Molecular formula | C13H22BrN5OS |
IUPAC name | 1-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-3-butylthiourea |
Molecular weight | 376.317 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 3 |
XlogP | 2.1 |
Synonyms | STL394370 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 Key | AJROVUWRGYOUKB-UHFFFAOYSA-N |
Inchi ID | InChI=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 CID | 3711958 |
ChEMBL | CHEMBL1370701 |
IUPHAR | N/A |
BindingDB | 67193 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
7169 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
7168 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
7170 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
7167 | Type-1 angiotensin II receptor | P30556 | AGTR1 | Homo sapiens (Human) | 359 |
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