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Compound Detail

CHEMBL371907

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N#C[C@@H]1CCCN1C(=O)CNCC(=O)N1CCc2ccccc2C1

Basic Information

ChEMBL ID CHEMBL371907
Phase Preclinical
Structure Type MOL
InChI Key HGLYHGKGQIVSLQ-INIZCTEOSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

326.4
MW (Da)
0.68
ALogP
4
HBA
1
HBD
76.4
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H22N4O2
MW 326.40
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -1.14

Activity Summary

IC50 3 meas. best 5.49

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
IC50 5.49 5.485 3236.0 2
Dipeptidyl peptidase 8
CHEMBL4657
IC50 5.38 5.38 4169.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16392822 10.1021/jm0507781 Dipeptidyl peptidase 4 1
16392822 10.1021/jm0507781 Dipeptidyl peptidase 8 1
16392822 10.1021/jm0507781 Dipeptidyl peptidase 2 1
18207285 10.1016/j.ejmech.2007.11.014 Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine