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Name | CHEMBL1910325 |
---|---|
Molecular formula | C35H39N5O6 |
IUPAC name | (3S)-3-[[(2S)-2-[[(3S,6S,8aS)-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-3-pyridin-3-ylpropanoyl]amino]-4-phenylbutanoic acid |
Molecular weight | 625.726 |
Hydrogen bond acceptor | 7 |
Hydrogen bond donor | 4 |
XlogP | 2.9 |
Synonyms | SCHEMBL14233258 |
Inchi Key | HICVXOMTGSGJJZ-IIZANFQQSA-N |
Inchi ID | InChI=1S/C35H39N5O6/c41-31(20-24-10-5-2-6-11-24)38-28-15-13-27-14-16-30(40(27)35(28)46)34(45)39-29(19-25-12-7-17-36-22-25)33(44)37-26(21-32(42)43)18-23-8-3-1-4-9-23/h1-12,17,22,26-30H,13-16,18-21H2,(H,37,44)(H,38,41)(H,39,45)(H,42,43)/t26-,27-,28-,29-,30-/m0/s1 |
PubChem CID | 57400699 |
ChEMBL | CHEMBL1910325 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
115554 | Prostaglandin F2-alpha receptor | P43088 | PTGFR | Homo sapiens (Human) | 359 |
zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417