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Name | CHEMBL3908441 |
---|---|
Molecular formula | C67H106N20O20S2 |
IUPAC name | (2S)-2-[[(2S)-2-[[2-[2-[2-[[2-[[(2R)-3-(acetamidomethylsulfanyl)-2-[[(2S)-2-[[2-(dimethylamino)acetyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-3-hydroxypropanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pentanediamide |
Molecular weight | 1575.82 |
Hydrogen bond acceptor | 24 |
Hydrogen bond donor | 20 |
XlogP | -4.7 |
Synonyms | N/A |
Inchi Key | AMWRMQPXTIIXQF-KSFWEJBOSA-N |
Inchi ID | InChI=1S/C67H106N20O20S2/c1-36(2)22-46(63(101)81-44(58(69)96)16-21-108-9)83-64(102)48(24-41-26-70-34-75-41)78-54(93)28-74-67(105)57(37(3)4)86-59(97)38(5)77-62(100)47(23-40-25-72-43-13-11-10-12-42(40)43)84-61(99)45(14-15-52(68)91)82-65(103)50(31-89)80-56(95)32-107-20-19-106-18-17-71-53(92)27-73-60(98)51(33-109-35-76-39(6)90)85-66(104)49(30-88)79-55(94)29-87(7)8/h10-13,25-26,34,36-38,44-51,57,72,88-89H,14-24,27-33,35H2,1-9H3,(H2,68,91)(H2,69,96)(H,70,75)(H,71,92)(H,73,98)(H,74,105)(H,76,90)(H,77,100)(H,78,93)(H,79,94)(H,80,95)(H,81,101)(H,82,103)(H,83,102)(H,84,99)(H,85,104)(H,86,97)/t38-,44-,45-,46-,47-,48-,49-,50-,51-,57-/m0/s1 |
PubChem CID | 134133056 |
ChEMBL | CHEMBL3908441 |
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. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
547987 | Gastrin-releasing peptide receptor | P30550 | GRPR | Homo sapiens (Human) | 384 |
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