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Compound Detail

CHEMBL2424672

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CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(C)c1=O

Basic Information

ChEMBL ID CHEMBL2424672
Phase Preclinical
Structure Type MOL
InChI Key UEUAULUPWUEHIO-LLVKDONJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
-0.50
ALogP
6
HBA
1
HBD
73.3
PSA (Ų)
0.74
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 C14H20N4O2
MW 276.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.57

Activity Summary

IC50 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
IC50 6.7 6.7 198.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23994324 10.1016/j.ejmech.2013.08.010 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine