General Information of the Compound
Compound ID
CP0231981
Compound Name
(R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid
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Synonyms
(R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid
CHEMBL67089
Gly-boroPro
Glycinyl-(R)-Boroproline
SCHEMBL10022738
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Structure
Formula
C6H13BN2O3
Molecular Weight
171.993
Canonical SMILES
NCC(=O)N1CCC[C@H]1B(O)O
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InChI
InChI=1S/C6H13BN2O3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5,11-12H,1-4,8H2/t5-/m0/s1
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InChIKey
BZTBBVKEKPNNBE-YFKPBYRVSA-N
Physicochemical Property
logP
-2.0519
Rotatable Bonds
2
Heavy Atom Count
12
Polar Areas
86.79
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Complexity
12

"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).

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PubChem ID
CID: 10607286
SID: 15636900
ChEMBL ID
CHEMBL67089
Map of Molecular Bioactivity Related to the Compound
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
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00975, Dipeptidyl peptidase 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 3.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 180 nM
Protein ID: PT01238, Dipeptidyl peptidase 9
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
Ki = 0.41 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 98 nM
Clinical Information about the Compound
Drug 1 ( (R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid )
Drug Name (R)-1-(2-aminoacetyl)pyrrolidin-2-ylboronic acid
Target(s)
Dipeptidyl peptidase 4 (DPP-4)
Inhibitor