Compound Detail
CHEMBL267035
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Basic Information
| ChEMBL ID | CHEMBL267035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BKCCUUCEIIWZGH-FLWNBWAVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
551.5
MW (Da)
7.92
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.14
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity against calmodulin-dependent Phosphodiesterase was reported. | 8632423 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of calmodulin-dependent Phosphodiesterase | 7830266 |
| MCF7 | IC50 | = | 4000.0 | nM | 5.4 | In vitro cytotoxicity against hormone-responsive MCF-7 cell line. | 7830266 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8632423 | 10.1021/jm9505472 | Phosphodiesterase 1 | 2 |
| 8632423 | 10.1021/jm9505472 | Estrogen receptor | 1 |
| 7830266 | 10.1021/jm00002a005 | Unchecked | 1 |
| 7830266 | 10.1021/jm00002a005 | Estrogen receptor | 1 |
| 7830266 | 10.1021/jm00002a005 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine