Compound Detail
CHEMBL3765188
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
COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCCCCOc1ccc(-c2nnn(C)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL3765188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKHIBGYAOMMETC-URLMMPGGSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
598.8
MW (Da)
5.98
ALogP
9
HBA
0
HBD
104.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.3
EC50 1 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 9.3 | 9.3 | 0.5 | 1 |
| Class 1 phosphodiesterase PDEB1 CHEMBL2010636 | IC50 | 8.5 | 8.5 | 3.2 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 6.6 | 6.6 | 251.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 0.5012 | nM | 9.3 | Inhibition of full length human recombinant PDE4B1 using [3H]-cAMP as substrate ... | 26935942 |
| Class 1 phosphodiesterase PDEB1 | IC50 | = | 3.162 | nM | 8.5 | Inhibition of recombinant Trypanosoma brucei PDEB1 using [3H]-cAMP as substrate ... | 26935942 |
| Trypanosoma brucei brucei | EC50 | = | 251.19 | nM | 6.6 | Antitrypanosomal activity against suramin-sensitive Trypanosoma brucei brucei Sq... | 26935942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26935942 | 10.1016/j.bmc.2016.02.032 | Unchecked | 2 |
| 26935942 | 10.1016/j.bmc.2016.02.032 | Class 1 phosphodiesterase PDEB1 | 1 |
| 26935942 | 10.1016/j.bmc.2016.02.032 | Trypanosoma brucei brucei | 1 |
| 26935942 | 10.1016/j.bmc.2016.02.032 | MRC5 | 1 |
| 26935942 | 10.1016/j.bmc.2016.02.032 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 26935942 | 10.1016/j.bmc.2016.02.032 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine