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Name | CHEMBL142925 |
---|---|
Molecular formula | C30H30ClN3O2 |
IUPAC name | 11-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-5-methyl-6-oxobenzo[c][1]benzazepine-11-carbonitrile |
Molecular weight | 500.039 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 4.7 |
Synonyms | BDBM50082690 SCHEMBL9108931 11-{3-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-propyl}-5-methyl-6-oxo-6,11-dihydro-5H-dibenzo[b,e]azepine-11-carbonitrile |
Inchi Key | CBUFKJIVRCPPNA-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C30H30ClN3O2/c1-33-27-10-5-4-9-26(27)29(21-32,25-8-3-2-7-24(25)28(33)35)15-6-18-34-19-16-30(36,17-20-34)22-11-13-23(31)14-12-22/h2-5,7-14,36H,6,15-20H2,1H3 |
PubChem CID | 10649043 |
ChEMBL | CHEMBL142925 |
IUPHAR | N/A |
BindingDB | 50082690 |
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 |
---|---|---|---|---|---|
38223 | C-C chemokine receptor type 1 | P32246 | CCR1 | Homo sapiens (Human) | 355 |
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