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Name | CHEMBL277537 |
---|---|
Molecular formula | C14H16N4O4 |
IUPAC name | 3-(1H-imidazol-5-yl)propyl N-[(3-nitrophenyl)methyl]carbamate |
Molecular weight | 304.306 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 2 |
XlogP | 1.8 |
Synonyms | (3-Nitro-benzyl)-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester BDBM50051193 3-Nitrobenzylcarbamic acid 3-(1H-imidazol-4-yl)propyl ester |
Inchi Key | JEGKJVGFTGBOQM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C14H16N4O4/c19-14(22-6-2-4-12-9-15-10-17-12)16-8-11-3-1-5-13(7-11)18(20)21/h1,3,5,7,9-10H,2,4,6,8H2,(H,15,17)(H,16,19) |
PubChem CID | 10852027 |
ChEMBL | CHEMBL277537 |
IUPHAR | N/A |
BindingDB | 50051193 |
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 |
---|---|---|---|---|---|
148813 | Histamine H1 receptor | P31389 | HRH1 | Cavia porcellus (Guinea pig) | 488 |
148814 | Histamine H2 receptor | P47747 | HRH2 | Cavia porcellus (Guinea pig) | 359 |
148815 | Histamine H3 receptor | Q9QYN8 | Hrh3 | Rattus norvegicus (Rat) | 445 |
148816 | Histamine H3 receptor | P58406 | Hrh3 | Mus musculus (Mouse) | 445 |
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