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Name | CHEMBL3290094 |
---|---|
Molecular formula | C31H33ClN4O5 |
IUPAC name | (2S)-2-[[1-(7-chloroquinolin-4-yl)-5-(2,6-dimethoxyphenyl)-4-ethylpyrazole-3-carbonyl]amino]-2-cyclohexylacetic acid |
Molecular weight | 577.078 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 2 |
XlogP | 6.8 |
Synonyms | BDBM50019410 SCHEMBL18983529 |
Inchi Key | WZQNVNSPKOSEAU-MHZLTWQESA-N |
Inchi ID | InChI=1S/C31H33ClN4O5/c1-4-20-28(30(37)34-27(31(38)39)18-9-6-5-7-10-18)35-36(23-15-16-33-22-17-19(32)13-14-21(22)23)29(20)26-24(40-2)11-8-12-25(26)41-3/h8,11-18,27H,4-7,9-10H2,1-3H3,(H,34,37)(H,38,39)/t27-/m0/s1 |
PubChem CID | 90644387 |
ChEMBL | CHEMBL3290094 |
IUPHAR | N/A |
BindingDB | 50019410 |
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 |
---|---|---|---|---|---|
386453 | Neurotensin receptor type 1 | P20789 | Ntsr1 | Rattus norvegicus (Rat) | 424 |
386454 | Neurotensin receptor type 2 | Q63384 | Ntsr2 | Rattus norvegicus (Rat) | 416 |
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