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Name | CHEMBL93168 |
---|---|
Molecular formula | C29H31BrN2O |
IUPAC name | (2-bromophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone |
Molecular weight | 503.484 |
Hydrogen bond acceptor | 2 |
Hydrogen bond donor | 0 |
XlogP | 6.1 |
Synonyms | (2-Bromo-phenyl)-[(3S,4S)-3-phenyl-4-(4-phenyl-piperidin-1-ylmethyl)-pyrrolidin-1-yl]-methanone (2-bromophenyl){(3s,4s)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl}methanone BDBM50105553 (2-bromophenyl)-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]methanone CTK5I8674 [ Show all ] |
Inchi Key | ABBUEGRTOFDVBQ-AHKZPQOWSA-N |
Inchi ID | InChI=1S/C29H31BrN2O/c30-28-14-8-7-13-26(28)29(33)32-20-25(27(21-32)24-11-5-2-6-12-24)19-31-17-15-23(16-18-31)22-9-3-1-4-10-22/h1-14,23,25,27H,15-21H2/t25-,27+/m0/s1 |
PubChem CID | 489817 |
ChEMBL | CHEMBL93168 |
IUPHAR | N/A |
BindingDB | 50105553 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
728 | C-C chemokine receptor type 5 | P51681 | CCR5 | Homo sapiens (Human) | 352 |
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