Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL278393

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
N[C@H](C(=O)N1CCCC1)C1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL278393
Phase Preclinical
Structure Type MOL
InChI Key RWNSISJNBAQNTF-NSHDSACASA-N
4
Targets
13
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

210.3
MW (Da)
1.52
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H22N2O
MW 210.32
Aromatic Rings 0
Heavy Atoms 15
NP-Likeness -0.35

Activity Summary

IC50 10 meas. best 7.11
Ki 3 meas. best 7.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 Ki 7.19 7.1 64.0 3
Dipeptidyl peptidase 8
CHEMBL4657
 IC50 7.11 7.11 78.0 1
Unchecked
CHEMBL612545
 IC50 6.9 6.9 125.0 1
Dipeptidyl peptidase 4
CHEMBL284
 IC50 6.5 6.052 320.0 5
Dipeptidyl peptidase 2
CHEMBL3976
 IC50 4.72 4.6067 19000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 Ki = 64.0 nM 7.19 In vitro test for inhibitory activity against human dipeptidyl peptidase IV. -
Dipeptidyl peptidase 4 Ki = 64.0 nM 7.19 Inhibitory concentration against dipeptidylpeptidase IV 15293982
Dipeptidyl peptidase 8 IC50 = 78.0 nM 7.11 Inhibitory concentration against dipeptidylpeptidase 8 15664838
Dipeptidyl peptidase 4 Ki = 121.0 nM 6.92 Inhibitory constant against Dipeptidylpeptidase IV activity 16115768
Unchecked IC50 = 125.0 nM 6.9 Inhibitory concentration against dipeptidyl peptidase IV 15482928
Dipeptidyl peptidase 4 IC50 = 320.0 nM 6.5 Inhibitory activity against dipeptidylpeptidase IV. 14684294
Dipeptidyl peptidase 4 IC50 = 320.0 nM 6.5 Inhibitory activity against human Dipeptidylpeptidase IV 14980678
Dipeptidyl peptidase 4 IC50 = 320.0 nM 6.5 Inhibition of DPP4 19217790
Dipeptidyl peptidase 4 IC50 = 1034.0 nM 5.99 Inhibitory concentration against dipeptidylpeptidase IV 15664838
Dipeptidyl peptidase 4 IC50 = 17000.0 nM 4.77 Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) 14584950
Dipeptidyl peptidase 2 IC50 = 19000.0 nM 4.72 Inhibitory activity against quiescent cell prolyl peptidase (QPP). 14684294
Dipeptidyl peptidase 2 IC50 = 19000.0 nM 4.72 Inhibitory activity against human quiescent cell proline dipeptidase (QPP) enzym... 14980678
Dipeptidyl peptidase 2 IC50 = 42000.0 nM 4.38 Inhibitory activity of compound against Dipeptidylpeptidase II (DPP II) 14584950

Literature References

PubMed DOI Target Context # Activities
14584950 10.1021/jm0308803 Dipeptidyl peptidase 4 2
14684294 10.1016/j.bmcl.2003.10.016 Dipeptidyl peptidase 4 1
14684294 10.1016/j.bmcl.2003.10.016 Dipeptidyl peptidase 2 1
- 10.1016/0960-894X(96)00190-4 Dipeptidyl peptidase 4 1
14980678 10.1016/j.bmcl.2003.12.040 Dipeptidyl peptidase 4 1
14980678 10.1016/j.bmcl.2003.12.040 Dipeptidyl peptidase 2 1
14584950 10.1021/jm0308803 Dipeptidyl peptidase 2 1
15664838 10.1016/j.bmcl.2004.11.023 Dipeptidyl peptidase 4 1
15664838 10.1016/j.bmcl.2004.11.023 Dipeptidyl peptidase 8 1
15664838 10.1016/j.bmcl.2004.11.023 Dipeptidyl peptidase 2 1
15482928 10.1016/j.bmcl.2004.08.057 Unchecked 1
15293982 10.1021/jm030628v Dipeptidyl peptidase 4 1
16115768 10.1016/j.bmcl.2005.07.026 Dipeptidyl peptidase 4 1
16115768 10.1016/j.bmcl.2005.07.026 Mus musculus 1
19217790 10.1016/j.bmc.2009.01.061 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine