Compound Detail
CHEMBL22592
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Basic Information
| ChEMBL ID | CHEMBL22592 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLGPRMNNPPBOPJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.1
MW (Da)
2.20
ALogP
6
HBA
1
HBD
132.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Modulator of drug activity A CHEMBL5502 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| T78-1 CHEMBL613095 | IC50 | 4.76 | 4.76 | 17500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Modulator of drug activity A | IC50 | = | 190.0 | nM | 6.72 | Cytotoxicity in T79-A3 (NR-positive) cell lines | 9111301 |
| T78-1 | IC50 | = | 17500.0 | nM | 4.76 | Cytotoxicity in T78-1 (NR-negative) cell lines | 9111301 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111301 | 10.1021/jm960794l | Modulator of drug activity A | 2 |
| 9111301 | 10.1021/jm960794l | T78-1 | 1 |
| 9111301 | 10.1021/jm960794l | T78-1/T79-A3 | 1 |
Data from ChEMBL 36 via Core Engine