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Name | CHEMBL2369790 |
---|---|
Molecular formula | C47H69N11O9 |
IUPAC name | (2S)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-3-hydroxy-2-[[2-(1H-indol-3-yl)acetyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 932.137 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 11 |
XlogP | 2.0 |
Synonyms | BDBM50405768 |
Inchi Key | XKXJJMCNKPOEBZ-IFATVDFYSA-N |
Inchi ID | InChI=1S/C47H69N11O9/c1-6-50-45(66)39-14-10-20-58(39)46(67)34(13-9-19-51-47(48)49)54-41(62)35(21-27(2)3)55-42(63)36(22-28(4)5)56-43(64)37(23-29-15-17-31(60)18-16-29)57-44(65)38(26-59)53-40(61)24-30-25-52-33-12-8-7-11-32(30)33/h7-8,11-12,15-18,25,27-28,34-39,52,59-60H,6,9-10,13-14,19-24,26H2,1-5H3,(H,50,66)(H,53,61)(H,54,62)(H,55,63)(H,56,64)(H,57,65)(H4,48,49,51)/t34-,35-,36+,37-,38-,39-/m0/s1 |
PubChem CID | 14557594 |
ChEMBL | CHEMBL2369790 |
IUPHAR | N/A |
BindingDB | 50405768 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
394586 | Lutropin-choriogonadotropic hormone receptor | P16235 | Lhcgr | Rattus norvegicus (Rat) | 700 |
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