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Name | CHEMBL361430 |
---|---|
Molecular formula | C20H20BrN3S |
IUPAC name | (10E)-10-[(2-bromophenyl)methylidene]-4-tert-butyl-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-trien-2-imine |
Molecular weight | 414.365 |
Hydrogen bond acceptor | 3 |
Hydrogen bond donor | 1 |
XlogP | 5.5 |
Synonyms | BDBM50160191 SCHEMBL18840819 8-[1-(2-Bromo-phenyl)-meth-(E)-ylidene]-3-tert-butyl-7,8-dihydro-6H-pyrrolo[1,2-a]thieno[2,3-d]pyrimidin-(4Z)-ylideneamine |
Inchi Key | AUHVLVLVAOKAMR-GOPRIXMCSA-N |
Inchi ID | InChI=1S/C20H20BrN3S/c1-20(2,3)14-11-25-19-16(14)17(22)24-9-8-13(18(24)23-19)10-12-6-4-5-7-15(12)21/h4-7,10-11,22H,8-9H2,1-3H3/b13-10+,22-17? |
PubChem CID | 44391160 |
ChEMBL | CHEMBL361430 |
IUPHAR | N/A |
BindingDB | 50160191 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
14640 | C-C chemokine receptor type 3 | P51677 | CCR3 | Homo sapiens (Human) | 355 |
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