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Name | CHEMBL376202 |
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Molecular formula | C27H28N2O3S |
IUPAC name | 2-methoxy-5-[[4-[1-(thiophen-2-ylmethyl)indol-3-yl]piperidin-1-yl]methyl]benzoic acid |
Molecular weight | 460.592 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.6 |
Synonyms | BDBM50156872 SCHEMBL5344198 2-methoxy-5-[4-(1-thiophen-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]benzoic acid ZERWJGDOIKPLKM-UHFFFAOYSA-N 2-methoxy-5-[4-(1-thiophen-2-ylmethyl-1H-indol-3-yl)-piperidin-1-ylmethyl]-benzoic Acid |
Inchi Key | ZERWJGDOIKPLKM-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C27H28N2O3S/c1-32-26-9-8-19(15-23(26)27(30)31)16-28-12-10-20(11-13-28)24-18-29(17-21-5-4-14-33-21)25-7-3-2-6-22(24)25/h2-9,14-15,18,20H,10-13,16-17H2,1H3,(H,30,31) |
PubChem CID | 10226501 |
ChEMBL | CHEMBL376202 |
IUPHAR | N/A |
BindingDB | 50156872 |
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 |
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426536 | Histamine H1 receptor | P70174 | Hrh1 | Mus musculus (Mouse) | 488 |
426537 | Histamine H1 receptor | P31389 | HRH1 | Cavia porcellus (Guinea pig) | 488 |
426535 | Histamine H2 receptor | P25021 | HRH2 | Homo sapiens (Human) | 359 |
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