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

CHEMBL282765

TETRAHYDROBENXIMIDAZOLE
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
CC1CC(=O)NN=C1c1ccc(-n2cnc3c2CCCC3)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL282765
Name TETRAHYDROBENXIMIDAZOLE
Phase Preclinical
Structure Type MOL
InChI Key KDEKNYKHIZTSLE-UHFFFAOYSA-N
5
Targets
12
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
2.61
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.93
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O
MW 308.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.84

Activity Summary

IC50 12 meas. best 7.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
 IC50 7.82 6.41 15.0 4
Phosphodiesterase 3
CHEMBL2094125
 IC50 6.96 6.6933 110.0 3
Unchecked
CHEMBL612545
 IC50 6.82 6.82 150.0 1
cGMP-dependent 3',5'-cyclic phosphodiesterase
CHEMBL2652
 IC50 4.37 4.355 43000.0 2
Phosphodiesterase 1
CHEMBL2095150
 IC50 4.12 4.095 75000.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 15.0 nM 7.82 In vitro inhibition of collagen stimulated platelet aggregation in human thrombo... 2536438
Phosphodiesterase 3 IC50 = 110.0 nM 6.96 Inhibition of phosphodiesterase 3 from human platelets at 1E-7-1E-4M or 1.0E-6 t... 2536438
Phosphodiesterase 3 IC50 = 150.0 nM 6.82 Inhibitory concentration against cAMP PDE III enzyme in guinea pig 2822926
Unchecked IC50 = 150.0 nM 6.82 Inhibition of phosphodiesterase 3 from guinea pig cardiac tissue at 1E-7-1E-4M o... 2536438
Homo sapiens IC50 = 500.0 nM 6.3 In vitro inhibition of ADP stimulated platelet aggregation in human whole blood 2536438
Phosphodiesterase 3 IC50 = 501.19 nM 6.3 Inhibition of dual cGMP-inhibited phosphodiesterase 3 (PDE3) was determined in h... 12723963
Homo sapiens IC50 = 750.0 nM 6.12 In vitro inhibition of collagen stimulated platelet aggregation in human whole b... 2536438
Homo sapiens IC50 = 4000.0 nM 5.4 In vitro inhibition of ADP stimulated platelet aggregation in human thrombocyte ... 2536438
cGMP-dependent 3',5'-cyclic phosphodiesterase IC50 = 43000.0 nM 4.37 Inhibitory concentration against cGMP PDE II enzyme in guinea pig 2822926
cGMP-dependent 3',5'-cyclic phosphodiesterase IC50 = 46000.0 nM 4.34 Inhibitory concentration against cAMP PDE II enzyme in guinea pig 2822926
Phosphodiesterase 1 IC50 = 75000.0 nM 4.12 Inhibitory concentration against cAMP PDE I enzyme in guinea pig 2822926
Phosphodiesterase 1 IC50 = 85000.0 nM 4.07 Inhibitory concentration against cGMP PDE I enzyme in guinea pig 2822926

Literature References

PubMed DOI Target Context # Activities
2822926 10.1021/jm00394a005 Phosphodiesterase 1 6
2822926 10.1021/jm00394a005 cGMP-dependent 3',5'-cyclic phosphodiesterase 6
2536438 10.1021/jm00122a011 Homo sapiens 4
2822926 10.1021/jm00394a005 Phosphodiesterase 3 3
2864447 10.1021/jm00148a006 Canis familiaris 2
2822926 10.1021/jm00394a005 Unchecked 2
2536438 10.1021/jm00122a011 Phosphodiesterase 3 2
2822926 10.1021/jm00394a005 Canis familiaris 1
2536438 10.1021/jm00122a011 Unchecked 1
2536438 10.1021/jm00122a011 No relevant target 1
12723963 10.1021/jm030776l Phosphodiesterase 3 1

Data from ChEMBL 36 via Core Engine