General Information of the Compound
| Compound ID |
CP0067537
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| Compound Name |
(R)-1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-2-ylboronic acid
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| Synonyms |
Boroproline compounds, DARA BioSciences
Boroproline compounds, Point Therapeutics
PT-100
Talabostat
Talabostat mesylate
Val-boro-Pro
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| Structure |
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| Formula |
C9H19BN2O3
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| Molecular Weight |
214.074
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| Canonical SMILES |
CC(C)[C@H](N)C(=O)N1CCC[C@H]1B(O)O
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| InChI |
InChI=1S/C9H19BN2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8,14-15H,3-5,11H2,1-2H3/t7-,8-/m0/s1
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| InChIKey |
FKCMADOPPWWGNZ-YUMQZZPRSA-N
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| CAS |
149682-77-9
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00975, Dipeptidyl peptidase 8
Protein ID: PT01238, Dipeptidyl peptidase 9
Protein ID: PT03315, Prolyl endopeptidase FAP
Protein ID: PT01241, Prolyl endopeptidase FAP
Clinical Information about the Compound
Drug 1 ( Talabostat )
| Drug Name | Talabostat | ||
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| Company | Point Therapeutics; Tufts University School of Medicine | ||
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