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Name | CHEMBL262235 |
---|---|
Molecular formula | C64H79FN12O10 |
IUPAC name | (2R)-1-[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[3-(4-fluorophenyl)propanoylamino]-3-naphthalen-1-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]pentanoyl]-N-ethylpyrrolidine-2-carboxamide |
Molecular weight | 1195.41 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 12 |
XlogP | 5.3 |
Synonyms | N/A |
Inchi Key | ABYQVHQOXAVSNM-NJMIAKHUSA-N |
Inchi ID | InChI=1S/C64H79FN12O10/c1-4-68-62(86)55-19-11-31-77(55)63(87)49(18-10-30-69-64(66)67)72-57(81)50(32-38(2)3)73-60(84)53(35-43-36-70-48-17-8-7-16-47(43)48)75-58(82)51(33-40-22-27-45(79)28-23-40)74-61(85)54(37-78)76-59(83)52(34-42-14-9-13-41-12-5-6-15-46(41)42)71-56(80)29-24-39-20-25-44(65)26-21-39/h5-9,12-17,20-23,25-28,36,38,49-55,70,78-79H,4,10-11,18-19,24,29-35,37H2,1-3H3,(H,68,86)(H,71,80)(H,72,81)(H,73,84)(H,74,85)(H,75,82)(H,76,83)(H4,66,67,69)/t49-,50-,51-,52-,53+,54-,55+/m0/s1 |
PubChem CID | 44375307 |
ChEMBL | CHEMBL262235 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 5 hydrogen bond donor. This ligand has more than 10 hydrogen bond acceptor. 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 |
---|---|---|---|---|---|
1309 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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