Compound Detail
CHEMBL27421
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N=C(N)c1ccc(/N=N/c2c(O)ccc3cc4c(/N=N/c5ccc(C(=N)N)cc5)c(O)ccc4cc23)cc1
Basic Information
| ChEMBL ID | CHEMBL27421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTQYISCJDPIVNR-LBYUQGKWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.5
MW (Da)
6.80
ALogP
8
HBA
6
HBD
189.6
PSA (Ų)
0.06
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein CHEMBL3018 | Ki | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Suppressor of tumorigenicity 14 protein | Ki | = | 4500.0 | nM | 5.35 | compound was tested for inhibitory activity against Matriptase | 11311057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11311057 | 10.1021/jm000395x | Suppressor of tumorigenicity 14 protein | 1 |
Data from ChEMBL 36 via Core Engine