Compound Detail
CHEMBL1993627
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Basic Information
| ChEMBL ID | CHEMBL1993627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDICAZYAWFUCRU-VXLYETTFSA-N |
5
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
4.03
ALogP
4
HBA
1
HBD
51.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.37
IC50 2 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.37 | 6.37 | 430.0 | 1 |
| Nucleic Acid CHEMBL345 | EC50 | 6.09 | 6.09 | 810.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 6.08 | 6.08 | 828.8 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.06 | 6.06 | 871.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.15 | 5.13 | 7071.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.14 | 4.14 | 72820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 430.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Nucleic Acid | EC50 | = | 810.0 | nM | 6.09 | PUBCHEM_BIOASSAY: Luminescent HTS for small molecule inhibitors of MT1-MMP trans... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 828.76 | nM | 6.08 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Luciferin 4-monooxygenase | EC50 | = | 871.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 7071.0 | nM | 5.15 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 7704.0 | nM | 5.11 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | IC50 | = | 72820.0 | nM | 4.14 | PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... | - |
Data from ChEMBL 36 via Core Engine