Compound Detail
CHEMBL1970784
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Basic Information
| ChEMBL ID | CHEMBL1970784 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOSOFAONCKLXHN-UKTHLTGXSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
404.2
MW (Da)
5.42
ALogP
5
HBA
2
HBD
71.7
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.41
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Troponin, cardiac muscle CHEMBL2095202 | EC50 | 5.41 | 5.41 | 3934.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.37 | 5.37 | 4319.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.14 | 5.14 | 7278.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Troponin, cardiac muscle | EC50 | = | 3934.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response a... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 4319.0 | nM | 5.37 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Unchecked | EC50 | = | 7278.0 | nM | 5.14 | PUBCHEM_BIOASSAY: Counterscreen for activators of the calcium sensitivity of car... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4296182 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296182 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296182 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296182 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296182 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4296182 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296182 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine