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Compound Detail

CHEMBL147691

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CCC(C)C(N)C(=O)N1CCC(O)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL147691
Phase Preclinical
Structure Type MOL
InChI Key ZWNIUMCPTYAQHR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

200.3
MW (Da)
-0.05
ALogP
3
HBA
2
HBD
66.6
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H20N2O2
MW 200.28
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -0.21

Activity Summary

IC50 2 meas. best 4.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 4.03 4.03 93000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 93000.0 nM 4.03 Inhibitory activity against Dipeptidylpeptidase IV (DPP IV) 14584950

Literature References

PubMed DOI Target Context # Activities
14584950 10.1021/jm0308803 Dipeptidyl peptidase 4 2
14584950 10.1021/jm0308803 Dipeptidyl peptidase 2 1

Data from ChEMBL 36 via Core Engine