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Name | CHEMBL297627 |
---|---|
Molecular formula | C40H42N6O7 |
IUPAC name | 5-[2-[[N-cyano-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethylcarbamoyl]-2-(3-hydroxy-6-oxo-8a,9-dihydroxanthen-9-yl)benzoic acid |
Molecular weight | 718.811 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 5 |
XlogP | 1.8 |
Synonyms | BDBM50404037 |
Inchi Key | CCMLYXNWTPSPTL-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C40H42N6O7/c41-25-45-40(43-14-5-19-52-30-7-4-6-26(20-30)24-46-17-2-1-3-18-46)44-16-15-42-38(49)27-8-11-31(34(21-27)39(50)51)37-32-12-9-28(47)22-35(32)53-36-23-29(48)10-13-33(36)37/h4,6-13,20-23,32,37,48H,1-3,5,14-19,24H2,(H,42,49)(H,50,51)(H2,43,44,45) |
PubChem CID | 44292856 |
ChEMBL | CHEMBL297627 |
IUPHAR | N/A |
BindingDB | 50404037 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
38744 | Histamine H2 receptor | P47747 | HRH2 | Cavia porcellus (Guinea pig) | 359 |
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