Compound Detail
CHEMBL557593
T-2585.HCL Enter ChEMBL ID:
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CCOc1cc2cc(CO)c(CO)c(-c3ccnc(-n4nc(-c5cccnc5)c5ccccc5c4=O)c3)c2cc1OCC.Cl
Basic Information
| ChEMBL ID | CHEMBL557593 |
| Name | T-2585.HCL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGOKXANRQGVLTL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL503012 |
| Active Moiety | CHEMBL503012 |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
574.6
MW (Da)
5.44
ALogP
9
HBA
2
HBD
119.6
PSA (Ų)
0.23
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.89
Ki 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 9.89 | 9.89 | 0.1 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 0.13 | nM | 9.89 | Inhibition of guinea pig lung Phosphodiesterase 4 | 10090791 |
| Phosphodiesterase 4 | Ki | = | 2.6 | nM | 8.59 | Displacement of [3H]- rolipram binding to guinea pig brain | 10090791 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 200.0 | nM | 6.7 | Inhibition of Phosphodiesterase 5 of guinea pig lung | 10090791 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of guinea pig cardiac ventricle Phosphodiesterase 2 | 10090791 |
| Phosphodiesterase 3 | IC50 | = | 1800.0 | nM | 5.75 | In vitro inhibition of Phosphodiesterase 3 activity from guinea pig cardiac vent... | 10090791 |
| Phosphodiesterase 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of Phosphodiesterase 1 of guinea pig cardiac ventricle | 10090791 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10090791 | 10.1021/jm980314l | Cavia porcellus | 8 |
| 10090791 | 10.1021/jm980314l | Phosphodiesterase 4 | 6 |
| 10090791 | 10.1021/jm980314l | Canis familiaris | 2 |
| 10090791 | 10.1021/jm980314l | Phosphodiesterase 1 | 1 |
| 10090791 | 10.1021/jm980314l | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 10090791 | 10.1021/jm980314l | Phosphodiesterase 3 | 1 |
| 10090791 | 10.1021/jm980314l | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine