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Name | CHEMBL404837 |
---|---|
Molecular formula | C20H22ClN5O4 |
IUPAC name | 2-amino-N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-nitrobenzamide |
Molecular weight | 431.877 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 2.6 |
Synonyms | BDBM50375736 |
Inchi Key | ARJKTLVBNOCOHR-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C20H22ClN5O4/c21-14-3-1-13(2-4-14)11-25-8-7-15(12-25)24-19(27)10-23-20(28)17-9-16(26(29)30)5-6-18(17)22/h1-6,9,15H,7-8,10-12,22H2,(H,23,28)(H,24,27)/t15-/m1/s1 |
PubChem CID | 44453562 |
ChEMBL | CHEMBL404837 |
IUPHAR | N/A |
BindingDB | 50375736 |
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 |
---|---|---|---|---|---|
12523 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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