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Name | CHEMBL3272533 |
---|---|
Molecular formula | C72H93N13O16 |
IUPAC name | acetic acid;benzyl N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-5-(diaminomethylideneamino)-1-[(2S)-2-(ethylcarbamoyl)pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate |
Molecular weight | 1396.61 |
Hydrogen bond acceptor | 17 |
Hydrogen bond donor | 14 |
XlogP | None |
Synonyms | N/A |
Inchi Key | ANLQMFHTFIBUJB-NHTMNBIMSA-N |
Inchi ID | InChI=1S/C70H89N13O14.C2H4O2/c1-5-73-67(92)60-23-15-33-83(60)68(93)53(22-14-32-74-69(71)72)76-61(86)54(34-43(2)3)77-62(87)55(36-45-26-30-50(95-4)31-27-45)78-63(88)56(35-44-24-28-49(85)29-25-44)79-65(90)58(39-84)81-64(89)57(37-48-38-75-52-21-13-12-20-51(48)52)80-66(91)59(42-96-40-46-16-8-6-9-17-46)82-70(94)97-41-47-18-10-7-11-19-47;1-2(3)4/h6-13,16-21,24-31,38,43,53-60,75,84-85H,5,14-15,22-23,32-37,39-42H2,1-4H3,(H,73,92)(H,76,86)(H,77,87)(H,78,88)(H,79,90)(H,80,91)(H,81,89)(H,82,94)(H4,71,72,74);1H3,(H,3,4)/t53-,54-,55+,56-,57-,58-,59-,60-;/m0./s1 |
PubChem CID | 90677589 |
ChEMBL | CHEMBL3272533 |
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. Partition coefficient log P of this ligand is not available. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
9666 | Gonadotropin-releasing hormone receptor | P30969 | Gnrhr | Rattus norvegicus (Rat) | 327 |
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