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Name | CHEMBL3943549 |
---|---|
Molecular formula | C18H21ClN4O2S |
IUPAC name | 4-[(4-chlorophenyl)methyl]-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carbonitrile |
Molecular weight | 392.902 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.8 |
Synonyms | DJDHNJIDBFJGHB-UHFFFAOYSA-N SCHEMBL15549063 4-(4-chlorobenzyl)-1-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine-4-carbonitrile |
Inchi Key | DJDHNJIDBFJGHB-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C18H21ClN4O2S/c1-13-17(14(2)22-21-13)26(24,25)23-9-7-18(12-20,8-10-23)11-15-3-5-16(19)6-4-15/h3-6H,7-11H2,1-2H3,(H,21,22) |
PubChem CID | 72550666 |
ChEMBL | CHEMBL3943549 |
IUPHAR | N/A |
BindingDB | 250585 |
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 |
---|---|---|---|---|---|
534184 | Prokineticin receptor 1 | Q8TCW9 | PROKR1 | Homo sapiens (Human) | 393 |
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