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Name | CHEMBL3981726 |
---|---|
Molecular formula | C34H34Cl2N6O2S2 |
IUPAC name | 1-[2-[4-(4-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(2-chloro-1,3-thiazol-4-yl)urea |
Molecular weight | 693.706 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 3 |
XlogP | 9.0 |
Synonyms | BDBM245369 SCHEMBL16782761 US9428504, 118 |
Inchi Key | BNGNOBOYPUAPNZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C34H34Cl2N6O2S2/c1-33(2,3)18-41-15-13-34(14-16-41)19-42(23-9-5-4-8-22(23)37-32(44)39-26-17-45-31(36)38-26)29-24(43)12-11-20(27(29)34)30-40-28-21(35)7-6-10-25(28)46-30/h4-12,17,43H,13-16,18-19H2,1-3H3,(H2,37,39,44) |
PubChem CID | 136992581 |
ChEMBL | CHEMBL3981726 |
IUPHAR | N/A |
BindingDB | 245369 |
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 |
---|---|---|---|---|---|
558116 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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