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

CHEMBL2172715

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
COc1ccc(C2=NN(C)C(=O)c3ccccc3C2)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2172715
Phase Preclinical
Structure Type MOL
InChI Key RNBQRHQRYHDUDD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
2.74
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.88
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 C18H18N2O3
MW 310.35
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.30

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.14 5.14 7300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 7300.0 nM 5.14 Inhibition of bovine PDE4 using [3H]cAMP as substrate 22891752

Literature References

PubMed DOI Target Context # Activities
22891752 10.1021/jm300514y Unchecked 2
22891752 10.1021/jm300514y PBMC 1

Data from ChEMBL 36 via Core Engine