Compound Detail
CHEMBL1520067
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Basic Information
| ChEMBL ID | CHEMBL1520067 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MMKPVKCGCNPSQC-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.4
MW (Da)
5.77
ALogP
5
HBA
1
HBD
59.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.68
IC50 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| Measles morbillivirus CHEMBL613738 | EC50 | 5.68 | 5.68 | 2100.0 | 1 |
| BJ CHEMBL614358 | EC50 | 4.47 | 4.385 | 33690.0 | 2 |
| Unchecked CHEMBL612545 | EC50 | 4.03 | 4.03 | 94193.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1260.0 | nM | 5.9 | PUBCHEM_BIOASSAY: A Cell Based HTS Approach for the Discovery of New Inhibitors ... | - |
| Measles morbillivirus | EC50 | = | 2100.0 | nM | 5.68 | Antiviral activity against Measles virus | 22328961 |
| BJ | EC50 | = | 33690.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 50507.0 | nM | 4.3 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 94193.0 | nM | 4.03 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22328961 | 10.1021/ml200125r | Measles morbillivirus | 1 |
Data from ChEMBL 36 via Core Engine