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Name | CHEMBL2164220 |
---|---|
Molecular formula | C25H32ClN5O2S |
IUPAC name | 6-chloro-N-[(3R)-3-[4-[(2-cyanoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide |
Molecular weight | 502.074 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 1 |
XlogP | 3.8 |
Synonyms | 6-chloro-N-[(3R)-3-[4-[(2-cyanoacetyl)-(3-thienylmethyl)amino]-1-piperidyl]butyl]-2,4-dimethyl-pyridine-3-carboxamide BDBM50394598 SCHEMBL3757013 |
Inchi Key | ALMMUBAXVULMLF-GOSISDBHSA-N |
Inchi ID | InChI=1S/C25H32ClN5O2S/c1-17-14-22(26)29-19(3)24(17)25(33)28-10-5-18(2)30-11-6-21(7-12-30)31(23(32)4-9-27)15-20-8-13-34-16-20/h8,13-14,16,18,21H,4-7,10-12,15H2,1-3H3,(H,28,33)/t18-/m1/s1 |
PubChem CID | 15940801 |
ChEMBL | CHEMBL2164220 |
IUPHAR | N/A |
BindingDB | 50394598 |
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 |
---|---|---|---|---|---|
8401 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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