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Name | MLS000849868 |
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Molecular formula | C15H17N3OS |
IUPAC name | 1-(2-bicyclo[2.2.1]hept-5-enyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea |
Molecular weight | 287.381 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 3 |
XlogP | 2.5 |
Synonyms | 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-[[(E)-(6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]thiourea NSC-268697 AC1NSCVA Hydrazinecarbothioamide, N-bicyclo[2.2.1]hept-5-en-2-yl-2-[(2-hydroxyphenyl)methylene]- 1-(5-bicyclo[2.2.1]hept-2-enyl)-3-[[(E)-(6-ketocyclohexa-2,4-dien-1-ylidene)methyl]amino]thiourea [ Show all ] |
Inchi Key | AAIIZTWLPBIJGA-CXUHLZMHSA-N |
Inchi ID | InChI=1S/C15H17N3OS/c19-14-4-2-1-3-12(14)9-16-18-15(20)17-13-8-10-5-6-11(13)7-10/h1-6,9-11,13,19H,7-8H2,(H2,17,18,20)/b16-9+ |
PubChem CID | 135488769 |
ChEMBL | CHEMBL1972143 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
557313 | Beta-2 adrenergic receptor | P07550 | ADRB2 | Homo sapiens (Human) | 413 |
557314 | Glucagon-like peptide 1 receptor | P43220 | GLP1R | Homo sapiens (Human) | 463 |
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