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Compound Detail

CHEMBL313842

ZARDAVERINE
🧪 Phase II
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🧪 Phase II
COc1cc(-c2ccc(=O)[nH]n2)ccc1OC(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL313842
Name ZARDAVERINE
Phase Phase II
Structure Type MOL
InChI Key HJMQDJPMQIHLPB-UHFFFAOYSA-N

Known Names

Zardaverina Zardaverine
6
Targets
22
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

268.2
MW (Da)
2.05
ALogP
4
HBA
1
HBD
64.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -verine

Extended Properties

Molecular Formula C12H10F2N2O3
MW 268.22
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.59

Activity Summary

IC50 21 meas. best 8.04
EC50 1 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.04 6.76 9.2 4
Unchecked
CHEMBL612545
 EC50 7.25 7.25 56.8 1
Phosphodiesterase 3
CHEMBL2094125
 IC50 6.96 6.368 110.0 5
Phosphodiesterase 4
CHEMBL2093863
 IC50 6.8 6.415 158.5 4
3',5'-cyclic-AMP phosphodiesterase 4D
CHEMBL288
 IC50 6.8 6.305 160.0 6
Phosphodiesterase 4
CHEMBL2094267
 IC50 6.68 6.68 210.0 1
3',5'-cyclic-AMP phosphodiesterase 4B
CHEMBL275
 IC50 5.85 5.85 1410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 9.2 nM 8.04 PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... -
Unchecked EC50 = 56.78 nM 7.25 Antiproliferative activity against human QGY-7701 cells assessed as reduction in... 37077378
Phosphodiesterase 3 IC50 = 110.0 nM 6.96 Inhibitory concentration against phosphodiesterase 3 from human platelet 15125967
Phosphodiesterase 4 IC50 = 158.49 nM 6.8 inhibition of cAMP-specific phosphodiesterase 4 (PDE4) was determined in cytosol... 12723963
Phosphodiesterase 4 IC50 = 158.49 nM 6.8 Inhibition of PDE4 in the cytosol of human neutrophils 11472205
Unchecked IC50 = 158.49 nM 6.8 Inhibition of PDE4 in dog trachea 18686943
3',5'-cyclic-AMP phosphodiesterase 4D IC50 = 160.0 nM 6.8 Inhibition of human GST-tagged PDE4D catalytic domain (183T to 510S residues) ex... 26908025
Phosphodiesterase 4 IC50 = 210.0 nM 6.68 Inhibitory concentration against phosphodiesterase 4 (PDE4) from rat kidney 15125967
3',5'-cyclic-AMP phosphodiesterase 4D IC50 = 390.0 nM 6.41 Inhibition of human PDE4D 20188577
3',5'-cyclic-AMP phosphodiesterase 4D IC50 = 390.0 nM 6.41 Inhibition of human PDE4D catalytic domain using [3H]-cAMP or [3H]-cGMP incubate... -
3',5'-cyclic-AMP phosphodiesterase 4D IC50 = 390.0 nM 6.41 Inhibition of human His-tagged PDE4D catalytic domain expressed in Escherichia c... 26908025
Unchecked IC50 = 515.0 nM 6.29 Inhibition of PDE4 in human PBMC assessed as reduction in LPS-induced TNF-alpha ... 27890378
Phosphodiesterase 3 IC50 = 575.44 nM 6.24 Inhibition of PDE3 in human platelet 18686943
Phosphodiesterase 3 IC50 = 580.0 nM 6.24 Inhibition of human recombinant PDE3 expressed in Escherichia coli 37077378
Phosphodiesterase 3 IC50 = 630.96 nM 6.2 Inhibition of dual cGMP-inhibited phosphodiesterase 3 (PDE3) was determined in h... 12723963
Phosphodiesterase 3 IC50 = 630.96 nM 6.2 Inhibition of PDE3 in homogenates of human blood platelets 11472205
Phosphodiesterase 4 IC50 = 800.0 nM 6.1 In vitro inhibition of bovine smooth muscle phosphodiesterase 4 15916433
3',5'-cyclic-AMP phosphodiesterase 4D IC50 = 800.0 nM 6.1 Inhibition of human recombinant PDE4D 22891752
Phosphodiesterase 4 IC50 = 1100.0 nM 5.96 Inhibition of human PDE4 using 5'-AMP or 5'-GMP as substrate by scintillation co... 32255344
Unchecked IC50 = 1220.5 nM 5.91 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -

Literature References

PubMed DOI Target Context # Activities
29407945 10.1016/j.ejmech.2018.01.035 Unchecked 3
29407945 10.1016/j.ejmech.2018.01.035 3',5'-cyclic-AMP phosphodiesterase 4D 2
26908025 10.1021/acs.jmedchem.5b01813 3',5'-cyclic-AMP phosphodiesterase 4D 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
11472205 10.1021/jm010837k Phosphodiesterase 3 1
17417631 10.1038/nchembio873 Unchecked 1
20188577 10.1016/j.bmc.2010.01.070 3',5'-cyclic-AMP phosphodiesterase 4D 1
18686943 10.1021/jm800582j Unchecked 1
18686943 10.1021/jm800582j Phosphodiesterase 3 1
15916433 10.1021/jm050063y Phosphodiesterase 4 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
12723963 10.1021/jm030776l Mus musculus 1
12723963 10.1021/jm030776l Phosphodiesterase 4 1
12723963 10.1021/jm030776l Phosphodiesterase 3 1
15125967 10.1016/j.bmcl.2004.03.021 Unchecked 1
15125967 10.1016/j.bmcl.2004.03.021 cGMP-specific 3',5'-cyclic phosphodiesterase 1
15125967 10.1016/j.bmcl.2004.03.021 Phosphodiesterase 4 1
15125967 10.1016/j.bmcl.2004.03.021 Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine