Compound Detail
CHEMBL1453212
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Basic Information
| ChEMBL ID | CHEMBL1453212 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYSDWCDTJKHDGV-GXDHUFHOSA-N |
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
341.3
MW (Da)
3.98
ALogP
5
HBA
0
HBD
59.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 9 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.14 | 6.14 | 723.0 | 1 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | EC50 | 6.08 | 6.08 | 840.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.63 | 5.3833 | 2368.0 | 3 |
| BJ CHEMBL614358 | EC50 | 5.34 | 5.2867 | 4584.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 723.0 | nM | 6.14 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| E3 ubiquitin-protein ligase Mdm2 | EC50 | = | 840.0 | nM | 6.08 | PUBCHEM_BIOASSAY: E3 Ligase dose-response_384. (Class of assay: confirmatory) [R... | - |
| Unchecked | EC50 | = | 2368.0 | nM | 5.63 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| BJ | EC50 | = | 4584.0 | nM | 5.34 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 4882.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| BJ | EC50 | = | 5468.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 5490.0 | nM | 5.26 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| Unchecked | EC50 | = | 6243.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine