Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL333672

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1ccc2c(c1)-c1nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)c1C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL333672
Phase Preclinical
Structure Type MOL
InChI Key FNTXWAUSISDDFW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.3
MW (Da)
4.98
ALogP
3
HBA
2
HBD
64.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17Cl2N3
MW 370.28
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.67

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.55 6.55 280.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 280.0 nM 6.55 Inhibition of Dipeptidylpeptidase IV 15177478

Literature References

PubMed DOI Target Context # Activities
15177478 10.1016/j.bmcl.2004.04.049 Unchecked 1

Data from ChEMBL 36 via Core Engine