Compound Detail
CHEMBL1879649
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Basic Information
| ChEMBL ID | CHEMBL1879649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMSQSTANKRXRFA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
3.36
ALogP
5
HBA
1
HBD
64.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei brucei CHEMBL612851 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.51 | 4.51 | 30911.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei brucei | IC50 | = | 2900.0 | nM | 5.54 | Antitrypanosomal activity against Trypanosoma brucei brucei 427 bloodstream form... | 30647879 |
| Unchecked | IC50 | = | 30911.0 | nM | 4.51 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3832761 | Mycobacterium tuberculosis | 17 |
| 30647879 | 10.1039/C8MD00319J | Trypanosoma brucei brucei | 3 |
| - | 10.6019/CHEMBL2095176 | No relevant target | 2 |
| 30647879 | 10.1039/C8MD00319J | Unchecked | 1 |
| - | 10.6019/CHEMBL4513149 | HEK293 | 1 |
| - | 10.6019/CHEMBL4513149 | Erythrocyte | 1 |
| - | 10.6019/CHEMBL4513149 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513149 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513149 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4513149 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513149 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513149 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513149 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513101 | Naegleria gruberi | 1 |
| - | 10.6019/CHEMBL2095176 | Mycobacterium tuberculosis variant bovis BCG | 1 |
| 30647879 | 10.1039/C8MD00319J | HeLa | 1 |
| - | 10.6019/CHEMBL3987221 | Porphobilinogen deaminase | 1 |
| - | 10.6019/CHEMBL3987221 | Ferrochelatase, mitochondrial | 1 |
| - | 10.6019/CHEMBL3832761 | HepG2 | 1 |
| - | 10.6019/CHEMBL2095176 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine