Compound Detail
CHEMBL1342336
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Basic Information
| ChEMBL ID | CHEMBL1342336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YARXQDMQMCNVMB-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
366.4
MW (Da)
3.71
ALogP
7
HBA
0
HBD
61.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.47 | 7.4033 | 34.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 34.0 | nM | 7.47 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
| Unchecked | EC50 | = | 40.0 | nM | 7.4 | PUBCHEM_BIOASSAY: Luminescence Cell-Based HTS Dose Confirmation to Identify Inhi... | - |
| Unchecked | EC50 | = | 46.0 | nM | 7.34 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Inhibitors o... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22247791 | 10.1021/ml200195s | HT-1080 | 6 |
| 22247791 | 10.1021/ml200195s | NON-PROTEIN TARGET | 1 |
| 22247791 | 10.1021/ml200195s | MCF-10A | 1 |
| 22247791 | 10.1021/ml200195s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine