Compound Detail
CHEMBL1345195
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Basic Information
| ChEMBL ID | CHEMBL1345195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONAZKRHHQUOXCZ-NTEUORMPSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.50
ALogP
5
HBA
2
HBD
60.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.71
IC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.71 | 5.71 | 1950.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.66 | 5.66 | 2203.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.56 | 5.56 | 2775.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL3151 | IC50 | 5.49 | 5.49 | 3230.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.21 | 5.21 | 6244.0 | 1 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.33 | 4.33 | 47200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 1950.0 | nM | 5.71 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Streptokinase A | EC50 | = | 2203.0 | nM | 5.66 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus sp. 'group A' | EC50 | = | 2775.0 | nM | 5.56 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Intestinal-type alkaline phosphatase | IC50 | = | 3230.0 | nM | 5.49 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits from a small molecule ... | - |
| Streptococcus | EC50 | = | 6244.0 | nM | 5.21 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
| DNA dC->dU-editing enzyme APOBEC-3G | IC50 | = | 47200.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule APOBEC3G DNA Deam... | - |
Data from ChEMBL 36 via Core Engine