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Name | CHEMBL3961183 |
---|---|
Molecular formula | C38H35Cl2FN6O2S2 |
IUPAC name | 1-(6-chloro-1,3-benzothiazol-2-yl)-3-[2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-5-fluoro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea |
Molecular weight | 761.756 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 3 |
XlogP | 10.2 |
Synonyms | SCHEMBL16782768 US9428504, 141 BDBM245391 |
Inchi Key | AZYHDNCJZJWION-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C38H35Cl2FN6O2S2/c1-37(2,3)19-46-14-12-38(13-15-46)20-47(33-28(48)18-23(41)31(32(33)38)34-42-26-16-21(39)9-11-29(26)50-34)27-7-5-4-6-24(27)43-35(49)45-36-44-25-10-8-22(40)17-30(25)51-36/h4-11,16-18,48H,12-15,19-20H2,1-3H3,(H2,43,44,45,49) |
PubChem CID | 136992583 |
ChEMBL | CHEMBL3961183 |
IUPHAR | N/A |
BindingDB | 245391 |
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 |
---|---|---|---|---|---|
557837 | P2Y purinoceptor 1 | P47900 | P2RY1 | Homo sapiens (Human) | 373 |
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