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Name | SMR000160396 |
---|---|
Molecular formula | C21H18ClN3S2 |
IUPAC name | 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile |
Molecular weight | 411.966 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 0 |
XlogP | 4.8 |
Synonyms | 2-[(4-chlorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile MolPort-002-888-419 2-{[(4-chlorophenyl)methyl]sulfanyl}-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile HMS2436F18 ST51023023 [ Show all ] |
Inchi Key | DARZRPCNHBRTOT-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H18ClN3S2/c1-25-9-8-18-17(12-25)20(19-3-2-10-26-19)16(11-23)21(24-18)27-13-14-4-6-15(22)7-5-14/h2-7,10H,8-9,12-13H2,1H3 |
PubChem CID | 1201889 |
ChEMBL | CHEMBL1359342 |
IUPHAR | N/A |
BindingDB | 70650 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
55294 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
55295 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
55293 | C-X-C chemokine receptor type 5 | P32302 | CXCR5 | Homo sapiens (Human) | 372 |
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