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Name | CHEMBL3717348 |
---|---|
Molecular formula | C31H29N5O5S2 |
IUPAC name | azepan-1-yl-[4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-1,3-thiazol-2-yl]phenyl]methanone |
Molecular weight | 615.723 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 0 |
XlogP | 6.1 |
Synonyms | BDBM176270 SCHEMBL16603376 US9688695, 303 |
Inchi Key | BMTLDNBAUDMHSX-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C31H29N5O5S2/c1-38-22-13-25(23-15-27(41-26(23)14-22)24-16-36-30(33-24)43-31(34-36)39-2)40-17-21-18-42-28(32-21)19-7-9-20(10-8-19)29(37)35-11-5-3-4-6-12-35/h7-10,13-16,18H,3-6,11-12,17H2,1-2H3 |
PubChem CID | 117981585 |
ChEMBL | CHEMBL3717348 |
IUPHAR | N/A |
BindingDB | 176270 |
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 |
---|---|---|---|---|---|
522391 | Proteinase-activated receptor 4 | Q96RI0 | F2RL3 | Homo sapiens (Human) | 385 |
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