Compound Detail
CHEMBL1989750
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Basic Information
| ChEMBL ID | CHEMBL1989750 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBKMCVKXGXLJQS-VZUCSPMQSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
216.2
MW (Da)
0.42
ALogP
7
HBA
2
HBD
96.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.25 | 5.25 | 5640.0 | 1 |
| Exodeoxyribonuclease V CHEMBL2095232 | IC50 | 4.56 | 4.56 | 27479.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.49 | 4.465 | 32235.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 5640.0 | nM | 5.25 | DNDI: Inhibition of Human African Trypanosomiasis (HAT), STIB 795, in vitro | - |
| Exodeoxyribonuclease V | IC50 | = | 27479.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
| Unchecked | IC50 | = | 32235.0 | nM | 4.49 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
| Unchecked | IC50 | = | 36029.0 | nM | 4.44 | PUBCHEM_BIOASSAY: Absorbance-based bacterial cell-based high throughput dose res... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL2094269 | MRC5 | 1 |
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine