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Name | CHEMBL36473 |
---|---|
Molecular formula | C25H22N4O4S |
IUPAC name | N-ethyl-2-[(1S)-1-(naphthalene-1-carbonylamino)-2-(4-nitrophenyl)ethyl]-1,3-thiazole-4-carboxamide |
Molecular weight | 474.535 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 2 |
XlogP | 4.8 |
Synonyms | BDBM50100064 N-Ethyl-2-[(S)-alpha-(1-naphthylcarbonylamino)-4-nitrophenethyl]thiazole-4-carboxamide 2-[(S)-1-[(Naphthalene-1-carbonyl)-amino]-2-(4-nitro-phenyl)-ethyl]-thiazole-4-carboxylic acid ethylamide |
Inchi Key | BAXNZFTYFFRSMD-NRFANRHFSA-N |
Inchi ID | InChI=1S/C25H22N4O4S/c1-2-26-24(31)22-15-34-25(28-22)21(14-16-10-12-18(13-11-16)29(32)33)27-23(30)20-9-5-7-17-6-3-4-8-19(17)20/h3-13,15,21H,2,14H2,1H3,(H,26,31)(H,27,30)/t21-/m0/s1 |
PubChem CID | 44281891 |
ChEMBL | CHEMBL36473 |
IUPHAR | N/A |
BindingDB | 50100064 |
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 |
---|---|---|---|---|---|
19286 | C-C chemokine receptor type 3 | P51677 | CCR3 | Homo sapiens (Human) | 355 |
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