Compound Detail
CHEMBL5184593
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
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(Cc4ccc(C(=O)Nc5ccccc5N)cc4)ccc3OCC)nc12
Basic Information
| ChEMBL ID | CHEMBL5184593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IUKGCTNFPZAWGC-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
5.10
ALogP
7
HBA
3
HBD
127.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.94 | 6.94 | 114.0 | 3 |
| Histone deacetylase 1 CHEMBL325 | IC50 | 6.75 | 6.3633 | 180.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 114.0 | nM | 6.94 | Inhibition of PDE5A (unknown origin) | 33143937 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 114.0 | nM | 6.94 | Inhibition of PDE5A (unknown origin) | 33412421 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 114.0 | nM | 6.94 | Inhibition of PDE5A (unknown origin) | 38614063 |
| Histone deacetylase 1 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of HDAC1 (unknown origin) | 38614063 |
| Histone deacetylase 1 | IC50 | = | 673.0 | nM | 6.17 | Inhibition of HDAC1 (unknown origin) | 33143937 |
| Histone deacetylase 1 | IC50 | = | 673.0 | nM | 6.17 | Inhibition of HDAC1 (unknown origin) | 33412421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33143937 | 10.1016/j.ejmech.2020.112844 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 33143937 | 10.1016/j.ejmech.2020.112844 | Histone deacetylase 1 | 1 |
| 33143937 | 10.1016/j.ejmech.2020.112844 | Histone deacetylase 2 | 1 |
| 33143937 | 10.1016/j.ejmech.2020.112844 | Histone deacetylase 6 | 1 |
| 33412421 | 10.1016/j.ejmech.2020.113123 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 33412421 | 10.1016/j.ejmech.2020.113123 | Histone deacetylase 1 | 1 |
| 38614063 | 10.1016/j.ejmech.2024.116386 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 38614063 | 10.1016/j.ejmech.2024.116386 | Histone deacetylase 1 | 1 |
Data from ChEMBL 36 via Core Engine