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Compound Detail

CHEMBL362262

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N#CC1CC=NN1C(=O)CNC12CC3CC(CC(C3)C1)C2

Basic Information

ChEMBL ID CHEMBL362262
Phase Preclinical
Structure Type MOL
InChI Key FLCVZIOIMMGLDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
1.66
ALogP
4
HBA
1
HBD
68.5
PSA (Ų)
0.86
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 C16H22N4O
MW 286.38
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL4653
IC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 1500.0 nM 5.82 Inhibitory concentration against rat dipeptidyl peptidase IV 15357972

Literature References

PubMed DOI Target Context # Activities
15357972 10.1016/j.bmcl.2004.06.046 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine