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Name | CHEMBL134294 |
---|---|
Molecular formula | C39H65N7O2 |
IUPAC name | 11-[5-[6-[8-[6-aminohexyl(methyl)amino]octyl-methylamino]hexylamino]pentanoyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one |
Molecular weight | 663.996 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 4.9 |
Synonyms | 11-(1-Oxo-13,22-dimethyl-6,13,22,29-tetraazanonacosane-1-yl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepine-6-one |
Inchi Key | ACBSCMINIXTYQI-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C39H65N7O2/c1-44(32-19-9-5-14-26-40)30-17-7-3-4-8-18-31-45(2)33-20-10-6-15-27-41-28-16-13-25-37(47)46-36-24-12-11-22-34(36)39(48)43-35-23-21-29-42-38(35)46/h11-12,21-24,29,41H,3-10,13-20,25-28,30-33,40H2,1-2H3,(H,43,48) |
PubChem CID | 10532418 |
ChEMBL | CHEMBL134294 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
1413 | Muscarinic acetylcholine receptor M2 | P08172 | CHRM2 | Homo sapiens (Human) | 466 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417