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Compound Detail

CHEMBL4278092

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CC(C)(C)Oc1ccc(Cc2[nH]c(-c3ccco3)c3c(=O)c4ccccc4oc23)cc1

Basic Information

ChEMBL ID CHEMBL4278092
Phase Preclinical
Structure Type MOL
InChI Key IXAVWAAZKANJNV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
6.30
ALogP
4
HBA
1
HBD
68.4
PSA (Ų)
0.38
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H23NO4
MW 413.47
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 6.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 6.62 6.62 240.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
cGMP-specific 3',5'-cyclic phosphodiesterase IC50 = 240.0 nM 6.62 Inhibition of PDE5 (unknown origin) 30245400

Literature References

PubMed DOI Target Context # Activities
30245400 10.1016/j.ejmech.2018.09.028 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine