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Name | CHEMBL255646 |
---|---|
Molecular formula | C30H37N5O2 |
IUPAC name | (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-(N-pyridin-2-ylanilino)piperidin-1-yl]piperidin-1-yl]methanone |
Molecular weight | 499.659 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.1 |
Synonyms | BDBM50234729 SCHEMBL4385620 (2,4-dimethyl-1-oxy-pyridin-3-yl)-[4''-methyl-4-(phenyl-pyridin-2-yl-amino)-[1,4'']bipiperidinyl-1''-yl]-methanone |
Inchi Key | QLHFHZYYINJDOP-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H37N5O2/c1-23-12-20-34(37)24(2)28(23)29(36)32-21-15-30(3,16-22-32)33-18-13-26(14-19-33)35(25-9-5-4-6-10-25)27-11-7-8-17-31-27/h4-12,17,20,26H,13-16,18-19,21-22H2,1-3H3 |
PubChem CID | 44447735 |
ChEMBL | CHEMBL255646 |
IUPHAR | N/A |
BindingDB | 50234729 |
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 |
---|---|---|---|---|---|
281037 | C-C chemokine receptor type 5 | P61814 | CCR5 | Macaca fascicularis (Crab-eating macaque) | 352 |
281038 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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