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Name | CHEMBL3944347 |
---|---|
Molecular formula | C23H29ClN4O3 |
IUPAC name | N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-chloro-1-oxidopyridin-1-ium-2-carboxamide |
Molecular weight | 444.96 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 2.2 |
Synonyms | US9428456, 4.024 BDBM243978 SCHEMBL17270243 |
Inchi Key | BNNADQZTEDNFTR-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C23H29ClN4O3/c1-23(2,3)26-21(29)17-9-11-27(12-10-17)14-16-5-4-6-19(13-16)25-22(30)20-8-7-18(24)15-28(20)31/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,25,30)(H,26,29) |
PubChem CID | 118521937 |
ChEMBL | CHEMBL3944347 |
IUPHAR | N/A |
BindingDB | 243978 |
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 |
---|---|---|---|---|---|
534014 | Atypical chemokine receptor 3 | P25106 | ACKR3 | Homo sapiens (Human) | 362 |
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