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Name | CHEMBL1793998 |
---|---|
Molecular formula | C37H55FN6O8 |
IUPAC name | (2S)-2-[[(2S,3S)-2-[[[3-[[(2S)-6-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-4-fluorophenyl]-[(4-hydroxyphenyl)methyl]carbamoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid |
Molecular weight | 730.879 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 7 |
XlogP | 2.5 |
Synonyms | BDBM50366372 |
Inchi Key | UFAYBCJRXVTTCW-OTEZZXHMSA-N |
Inchi ID | InChI=1S/C37H55FN6O8/c1-8-23(4)31(33(47)41-30(34(48)49)19-22(2)3)43-35(50)44(21-24-12-15-26(45)16-13-24)25-14-17-27(38)29(20-25)40-32(46)28(11-9-10-18-39)42-36(51)52-37(5,6)7/h12-17,20,22-23,28,30-31,45H,8-11,18-19,21,39H2,1-7H3,(H,40,46)(H,41,47)(H,42,51)(H,43,50)(H,48,49)/t23-,28-,30-,31-/m0/s1 |
PubChem CID | 56675098 |
ChEMBL | CHEMBL1793998 |
IUPHAR | N/A |
BindingDB | 50366372 |
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 |
---|---|---|---|---|---|
335307 | Neurotensin receptor type 1 | P20789 | Ntsr1 | Rattus norvegicus (Rat) | 424 |
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