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Compound Detail

CHEMBL362297

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N#CC1CC=NN1C(=O)CNC1CCC(NC(=O)c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL362297
Phase Preclinical
Structure Type MOL
InChI Key LHXVELCZHKVXNJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

353.4
MW (Da)
1.43
ALogP
5
HBA
2
HBD
97.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N5O2
MW 353.43
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL4653
IC50 5.36 5.36 4400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 4400.0 nM 5.36 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