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Compound Detail

CHEMBL487630

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C[C@H](c1nc(-c2ccc(Cl)cc2Cl)no1)[C@H](N)C(=O)N1CC[C@H](F)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL487630
Phase Preclinical
Structure Type MOL
InChI Key BRSDJILBDVYHOV-FWDPORAESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

387.2
MW (Da)
3.04
ALogP
5
HBA
1
HBD
85.2
PSA (Ų)
0.87
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 C16H17Cl2FN4O2
MW 387.24
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 6.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 6.21 6.21 615.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 615.0 nM 6.21 Inhibition of DPP4 18524582

Literature References

PubMed DOI Target Context # Activities
18524582 10.1016/j.bmcl.2008.05.061 Dipeptidyl peptidase 4 1
18524582 10.1016/j.bmcl.2008.05.061 Dipeptidyl peptidase 8 1

Data from ChEMBL 36 via Core Engine