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Name | CHEMBL265736 |
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Molecular formula | C63H75N15O8S |
IUPAC name | (2S)-N-[(2R)-1-[[(2S)-1-[(2R)-2-[[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]methyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(3-phenothiazin-10-ylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanamide |
Molecular weight | 1202.45 |
Hydrogen bond acceptor | 13 |
Hydrogen bond donor | 11 |
XlogP | 4.9 |
Synonyms | BDBM50040323 phenothiazoneCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)Phe-NH2 |
Inchi Key | IJGKFNWVMNPSHQ-PWEMGPSHSA-N |
Inchi ID | InChI=1S/C63H75N15O8S/c1-37(2)56(62(85)72-38(3)58(81)75-50(30-43-33-66-36-70-43)63(86)77-25-14-17-44(77)34-68-47(57(64)80)27-40-15-6-5-7-16-40)76-59(82)39(4)71-60(83)48(28-41-31-67-46-19-9-8-18-45(41)46)74-61(84)49(29-42-32-65-35-69-42)73-55(79)24-26-78-51-20-10-12-22-53(51)87-54-23-13-11-21-52(54)78/h5-13,15-16,18-23,31-33,35-39,44,47-50,56,67-68H,14,17,24-30,34H2,1-4H3,(H2,64,80)(H,65,69)(H,66,70)(H,71,83)(H,72,85)(H,73,79)(H,74,84)(H,75,81)(H,76,82)/t38-,39+,44-,47+,48+,49+,50+,56+/m1/s1 |
PubChem CID | 16200972 |
ChEMBL | CHEMBL265736 |
IUPHAR | N/A |
BindingDB | 50040323 |
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 |
---|---|---|---|---|---|
134524 | Gastrin-releasing peptide receptor | P21729 | Grpr | Mus musculus (Mouse) | 384 |
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