Compound Detail
CHEMBL10515
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Basic Information
| ChEMBL ID | CHEMBL10515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MQISJAZESFPIPJ-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
453.5
MW (Da)
0.98
ALogP
9
HBA
5
HBD
207.3
PSA (Ų)
0.31
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.02
IC50 1 meas. best 8.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 8.87 | 8.87 | 1.3 | 1 |
| Mus musculus CHEMBL375 | Ki | 6.02 | 6.02 | 950.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 1.34 | nM | 8.87 | Inhibition of growth in L1210 murine leukemia cells in culture expressed as IC50... | 8340923 |
| Mus musculus | Ki | = | 950.0 | nM | 6.02 | Transport influx which is determined by competitive binding for the transport pr... | 8340923 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7143361 | 10.1021/jm00352a026 | L1210 | 5 |
| 7143361 | 10.1021/jm00352a026 | Enterococcus faecium | 2 |
| 7143361 | 10.1021/jm00352a026 | Lacticaseibacillus casei | 2 |
| 7143361 | 10.1021/jm00352a026 | Dihydrofolate reductase | 2 |
| 7143361 | 10.1021/jm00352a026 | ADMET | 2 |
| 8340923 | 10.1021/jm00067a020 | Mus musculus | 2 |
| 7143361 | 10.1021/jm00352a026 | Thymidylate synthase | 1 |
| 7143361 | 10.1021/jm00352a026 | Unchecked | 1 |
| 8340923 | 10.1021/jm00067a020 | Dihydrofolate reductase | 1 |
Data from ChEMBL 36 via Core Engine