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

CHEMBL5272911

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
CCC(CC)Nc1ncnc2c(OC)c(OC)ccc12

Basic Information

ChEMBL ID CHEMBL5272911
Phase Preclinical
Structure Type MOL
InChI Key UASVJHJKCAJGHA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
3.25
ALogP
5
HBA
1
HBD
56.3
PSA (Ų)
0.88
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H21N3O2
MW 275.35
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.58

Activity Summary

IC50 1 meas. best 6.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 1
CHEMBL2095150
IC50 6.77 6.77 170.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 1 IC50 = 170.0 nM 6.77 Inhibition of PDE1 (unknown origin) 34042442

Literature References

PubMed DOI Target Context # Activities
34042442 10.1021/acs.jmedchem.1c00115 Phosphodiesterase 1 1

Data from ChEMBL 36 via Core Engine