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Name | CHEMBL255857 |
---|---|
Molecular formula | C30H39N5O2S |
IUPAC name | (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-methyl-4-[4-[N-[(2-methyl-1,3-thiazol-4-yl)methyl]anilino]piperidin-1-yl]piperidin-1-yl]methanone |
Molecular weight | 533.735 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 0 |
XlogP | 4.2 |
Synonyms | BDBM50234727 SCHEMBL3840733 2,4-dimethyl-1-oxy-pyridin-3-yl)-{4''-methyl-4-[(2-methyl-thiazol-4-ylmethyl)-phenyl-amino]-[1,4'']bipiperidinyl-1''-yl}-methanone |
Inchi Key | DNXMKFAIRKHJIZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H39N5O2S/c1-22-10-17-35(37)23(2)28(22)29(36)32-18-13-30(4,14-19-32)33-15-11-27(12-16-33)34(26-8-6-5-7-9-26)20-25-21-38-24(3)31-25/h5-10,17,21,27H,11-16,18-20H2,1-4H3 |
PubChem CID | 10186910 |
ChEMBL | CHEMBL255857 |
IUPHAR | N/A |
BindingDB | 50234727 |
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 |
---|---|---|---|---|---|
64752 | C-C chemokine receptor type 5 | P61814 | CCR5 | Macaca fascicularis (Crab-eating macaque) | 352 |
64753 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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