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Name | CHEMBL3946708 |
---|---|
Molecular formula | C34H43ClN4O2 |
IUPAC name | 1-(4-tert-butylphenyl)-3-[2-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea |
Molecular weight | 575.194 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 3 |
XlogP | 8.2 |
Synonyms | SCHEMBL16782835 US9428504, 55 BDBM245315 |
Inchi Key | AIPUGEMWZTUKDW-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H43ClN4O2/c1-32(2,3)21-38-19-17-34(18-20-38)22-39(30-28(40)16-15-25(35)29(30)34)27-10-8-7-9-26(27)37-31(41)36-24-13-11-23(12-14-24)33(4,5)6/h7-16,40H,17-22H2,1-6H3,(H2,36,37,41) |
PubChem CID | 118130651 |
ChEMBL | CHEMBL3946708 |
IUPHAR | N/A |
BindingDB | 245315 |
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 |
---|---|---|---|---|---|
533932 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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