Compound Detail
CHEMBL300500
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Oc1c(CN2CCCC2)cc(Nc2cc(-c3ccc4ccccc4c3)nc3ccccc23)cc1CN1CCCC1
Basic Information
| ChEMBL ID | CHEMBL300500 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TXJPFVUANOQSHB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
7.70
ALogP
5
HBA
2
HBD
51.6
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WEHI CHEMBL612804 | EC50 | 8.94 | 8.94 | 1.1 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WEHI | EC50 | = | 1.148 | nM | 8.94 | Inhibition of CpG-oligodeoxynucleotides-induced immunostimulation in mouse WEHI ... | 17049254 |
| NON-PROTEIN TARGET | EC50 | = | 1.2 | nM | 8.92 | Concentration required for half-maximal inhibition of CpG-ODN effect on thymidin... | 10406648 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10406648 | 10.1016/s0960-894x(99)00291-7 | NON-PROTEIN TARGET | 1 |
| 17049254 | 10.1016/j.bmc.2006.09.059 | WEHI | 1 |
Data from ChEMBL 36 via Core Engine