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Name | CHEMBL294288 |
---|---|
Molecular formula | C35H45N5O8 |
IUPAC name | benzyl (2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(1-formylindol-3-yl)propanoyl]amino]-4-methylpentanoate |
Molecular weight | 663.772 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 4 |
XlogP | 4.0 |
Synonyms | benzyl 2-[1-[3-carbamoyl-1-neopentylcarboxamido-(1S)-propylcarboxamido]-2-(1-formyl-1H-3-indolyl)-(1R)-ethylcarboxamido]-4-methyl-(2S)-pentanoate BDBM50002544 |
Inchi Key | CLDDZHIEZFRINB-IARZGTGTSA-N |
Inchi ID | InChI=1S/C35H45N5O8/c1-22(2)17-28(33(45)47-20-23-11-7-6-8-12-23)38-32(44)27(18-24-19-40(21-41)29-14-10-9-13-25(24)29)37-31(43)26(15-16-30(36)42)39-34(46)48-35(3,4)5/h6-14,19,21-22,26-28H,15-18,20H2,1-5H3,(H2,36,42)(H,37,43)(H,38,44)(H,39,46)/t26-,27+,28-/m0/s1 |
PubChem CID | 15755305 |
ChEMBL | CHEMBL294288 |
IUPHAR | N/A |
BindingDB | 50002544 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
44633 | Substance-P receptor | P30547 | TACR1 | Cavia porcellus (Guinea pig) | 407 |
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