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Name | CHEMBL3099960 |
---|---|
Molecular formula | C24H30FN3O5 |
IUPAC name | 1-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-methoxyphenyl]-3-methylurea |
Molecular weight | 459.518 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 3 |
XlogP | 2.5 |
Synonyms | BDBM50444989 |
Inchi Key | BQBIDAKKFBOFBK-SFHVURJKSA-N |
Inchi ID | InChI=1S/C24H30FN3O5/c1-26-23(30)27-20-5-4-19(31-2)12-22(20)32-15-18(29)14-28-9-7-24(8-10-28)13-16-11-17(25)3-6-21(16)33-24/h3-6,11-12,18,29H,7-10,13-15H2,1-2H3,(H2,26,27,30)/t18-/m0/s1 |
PubChem CID | 72945111 |
ChEMBL | CHEMBL3099960 |
IUPHAR | N/A |
BindingDB | 50444989 |
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 |
---|---|---|---|---|---|
30102 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
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