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Name | AC1MEYUL |
---|---|
Molecular formula | C21H17NO4 |
IUPAC name | 7-(hydroxymethyl)-2-(2-phenylphenyl)-4,7a-dihydro-3aH-4,7-epoxyisoindole-1,3-dione |
Molecular weight | 347.37 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 1 |
XlogP | 1.5 |
Synonyms | MLS-0045214.0001 SR-01000241637-1 I07-0294 AKOS000366210 MolPort-002-218-241 [ Show all ] |
Inchi Key | DLLDGCMBIXQKEZ-UHFFFAOYSA-N |
Inchi ID | InChI=1S/C21H17NO4/c23-12-21-11-10-16(26-21)17-18(21)20(25)22(19(17)24)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-11,16-18,23H,12H2 |
PubChem CID | 2911166 |
ChEMBL | CHEMBL1470485 |
IUPHAR | N/A |
BindingDB | N/A |
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 |
---|---|---|---|---|---|
63060 | Apelin receptor | P35414 | APLNR | Homo sapiens (Human) | 380 |
63063 | C-C chemokine receptor type 6 | P51684 | CCR6 | Homo sapiens (Human) | 374 |
63061 | C-X-C chemokine receptor type 5 | P32302 | CXCR5 | Homo sapiens (Human) | 372 |
63062 | Neuropeptide S receptor | Q6W5P4 | NPSR1 | Homo sapiens (Human) | 371 |
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