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

CHEMBL12831

IMAZODAN
🧪 Phase II
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
🧪 Phase II
O=C1CCC(c2ccc(-n3ccnc3)cc2)=NN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL12831
Name IMAZODAN
Phase Phase II
Structure Type MOL
InChI Key VXMYWVMXSWJFCV-UHFFFAOYSA-N

Known Names

Imazodan
7
Targets
29
Activities
2
Assay Types
0
PK Parameters
20
Publications
1
Known Names

Molecular Properties

240.3
MW (Da)
1.49
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -dan
USAN Year 1986

Extended Properties

Molecular Formula C13H12N4O
MW 240.27
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.94

Activity Summary

IC50 27 meas. best 6.34
EC50 2 meas. best 5.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase; PDE3 & PDE4
CHEMBL2095153
 IC50 6.34 6.34 460.0 1
Unchecked
CHEMBL612545
 EC50 5.87 5.87 1356.0 1
Homo sapiens
CHEMBL372
 IC50 5.52 5.0225 3000.0 4
Phosphodiesterase 3
CHEMBL2094125
 IC50 5.47 5.15 3400.0 11
Phosphodiesterase 4
CHEMBL2093863
 IC50 5.22 5.22 6000.0 1
Felis catus
CHEMBL612670
 EC50 5.16 5.16 7000.0 1
Unchecked
CHEMBL612545
 IC50 5.1 5.1 8000.0 1
Phosphodiesterase 3B
CHEMBL5129
 IC50 4.03 4.03 94000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase; PDE3 & PDE4 IC50 = 460.0 nM 6.34 Inhibition of Sarcoplasmic Reticulum cAMP Phosphodiesterase from canine myocardi... 3033241
Unchecked EC50 = 1356.0 nM 5.87 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... -
Homo sapiens IC50 = 3000.0 nM 5.52 In vitro inhibition of collagen stimulated platelet aggregation in human thrombo... 2536438
Phosphodiesterase 3 IC50 = 3400.0 nM 5.47 Inhibition of phosphodiesterase 3 from human platelets at 1E-7-1E-4M or 1.0E-6 t... 2536438
Phosphodiesterase 3 IC50 = 4700.0 nM 5.33 Inhibition of human blood platelet c-AMP phosphodiesterase 1311763
Phosphodiesterase 3 IC50 = 6000.0 nM 5.22 Inhibition of PDE 3 (phosphodiesterase III) from guinea pig ventricle 8388468
Phosphodiesterase 4 IC50 = 6000.0 nM 5.22 Inhibition of canine cardiac cAMP phosphodiesterase (cAMP-PDE) 3039132
Phosphodiesterase 3 IC50 = 6100.0 nM 5.21 Inhibition of guinea pig phosphodiesterase type III 3950907
Phosphodiesterase 3 IC50 = 6100.0 nM 5.21 Inhibition of low Km cyclic cAMP phosphodiesterase PDE III of guinea pig ventric... 2985781
Phosphodiesterase 3 IC50 = 6100.0 nM 5.21 Inhibition of human recombinant PDE3 expressed in Escherichia coli 37077378
Felis catus EC50 = 7000.0 nM 5.16 The inotropic activity was assayed in vitro in cat papillary muscle 2832602
Phosphodiesterase 3 IC50 = 8000.0 nM 5.1 Inhibition of fraction III of guinea pig phosphodiesterase 6471063
Phosphodiesterase 3 IC50 = 8000.0 nM 5.1 Inhibition of Guinea Pig cAMP specific phosphodiesterase (PDE III); range 4 to 1... 3656349
Phosphodiesterase 3 IC50 = 8000.0 nM 5.1 Inhibitory concentration against cAMP PDE III enzyme in guinea pig 2822926
Homo sapiens IC50 = 8000.0 nM 5.1 In vitro inhibition of ADP stimulated platelet aggregation in human whole blood 2536438
Unchecked IC50 = 8000.0 nM 5.1 Inhibition of phosphodiesterase 3 from guinea pig cardiac tissue at 1E-7-1E-4M o... 2536438
Phosphodiesterase 3 IC50 = 8000.0 nM 5.1 Inhibition of cAMP PDE III enzyme 2822927
Homo sapiens IC50 = 17000.0 nM 4.77 In vitro inhibition of collagen stimulated platelet aggregation in human whole b... 2536438
Homo sapiens IC50 = 20000.0 nM 4.7 In vitro inhibition of ADP stimulated platelet aggregation in human thrombocyte ... 2536438
Phosphodiesterase 3 IC50 = 25000.0 nM 4.6 Inhibition of cardiac phosphodiesterase-3 isolated from canine heart. 2153210

Literature References

PubMed DOI Target Context # Activities
3656349 10.1021/jm00393a007 Canis familiaris 19
3599022 10.1021/jm00390a007 Canis familiaris 19
3950907 10.1021/jm00152a015 Canis familiaris 15
2864447 10.1021/jm00148a006 Canis familiaris 12
6471063 10.1021/jm00375a001 Canis familiaris 6
2822926 10.1021/jm00394a005 Phosphodiesterase 1 6
2822926 10.1021/jm00394a005 cGMP-dependent 3',5'-cyclic phosphodiesterase 6
2536438 10.1021/jm00122a011 Canis familiaris 6
2536438 10.1021/jm00122a011 Homo sapiens 4
2153210 10.1021/jm00163a061 Canis familiaris 4
3039132 10.1021/jm00391a013 Canis familiaris 3
8388468 10.1021/jm00062a011 Phosphodiesterase 3 3
3339616 10.1021/jm00397a033 Canis familiaris 3
3033241 10.1021/jm00388a014 Canis familiaris 3
2822926 10.1021/jm00394a005 Phosphodiesterase 3 3
3761304 10.1021/jm00160a006 Canis familiaris 3
2536438 10.1021/jm00122a011 Phosphodiesterase 3 2
2822927 10.1021/jm00394a006 Phosphodiesterase 1 2
2822927 10.1021/jm00394a006 cGMP-dependent 3',5'-cyclic phosphodiesterase 2
2822926 10.1021/jm00394a005 Unchecked 2

Data from ChEMBL 36 via Core Engine