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

CHEMBL68922

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
Cc1ccc([C@H]2CNCCc3cc(O)c(O)cc32)cc1

Basic Information

ChEMBL ID CHEMBL68922
Phase Preclinical
Structure Type MOL
InChI Key WJMADXZTZHFLMN-OAHLLOKOSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

269.3
MW (Da)
2.68
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19NO2
MW 269.34
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.72

Activity Summary

EC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylate cyclase type 5
CHEMBL3189
EC50 6.68 6.68 210.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adenylate cyclase type 5 EC50 = 210.0 nM 6.68 Effective concentration required to stimulate Adenylate cyclase 1973733

Literature References

PubMed DOI Target Context # Activities
1973733 10.1021/jm00170a025 Adenylate cyclase type 5 1

Data from ChEMBL 36 via Core Engine