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

CHEMBL4096629

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
O=C(c1[nH]c(Cc2ccc(O)cc2)c2oc3ccccc3c(=O)c12)N1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4096629
Phase Preclinical
Structure Type MOL
InChI Key DTHGBSDNCZQCJM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
3.04
ALogP
5
HBA
2
HBD
95.8
PSA (Ų)
0.55
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 C23H20N2O5
MW 404.42
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -0.35

Literature References

PubMed DOI Target Context # Activities
28686445 10.1021/acs.jmedchem.7b00523 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine