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Name | UNII-PON9OFP69G |
---|---|
Molecular formula | C25H32FN7O2 |
IUPAC name | 1-[(2R,3S)-4-[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]-3-hydroxybutan-2-yl]-3-[3-(1-methyltetrazol-5-yl)phenyl]urea |
Molecular weight | 481.576 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 2.9 |
Synonyms | 675122-44-8 SCHEMBL5561408 1-{(1R,2S)-3-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-yl]-2-hydroxy-1-methyl-propyl}-3-[3-(1-methyl-1H-tetrazol-5-yl)-phenyl]-urea N-{(1R,2S)-3-[(3S)-3-(4-fluorobenzyl)-1-piperidinyl]-2-hydroxy-1-methylpropyl}-N'-[3-(1-methyl-1H-tetraazol-5-yl)phenyl]urea BDBM50231358 [ Show all ] |
Inchi Key | JTVSGNGYUGCQJP-FHJLPGHOSA-N |
Inchi ID | InChI=1S/C25H32FN7O2/c1-17(27-25(35)28-22-7-3-6-20(14-22)24-29-30-31-32(24)2)23(34)16-33-12-4-5-19(15-33)13-18-8-10-21(26)11-9-18/h3,6-11,14,17,19,23,34H,4-5,12-13,15-16H2,1-2H3,(H2,27,28,35)/t17-,19+,23+/m1/s1 |
PubChem CID | 10050884 |
ChEMBL | CHEMBL399495 |
IUPHAR | N/A |
BindingDB | 50231358 |
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 |
---|---|---|---|---|---|
159831 | C-C chemokine receptor type 3 | P51677 | CCR3 | Homo sapiens (Human) | 355 |
159833 | C-C chemokine receptor type 3 | Q9BDS8 | CCR3 | Macaca fascicularis (Crab-eating macaque) | 355 |
159832 | Probable C-C chemokine receptor type 3 | P51678 | Ccr3 | Mus musculus (Mouse) | 359 |
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