Compound Detail
CHEMBL1417290
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Basic Information
| ChEMBL ID | CHEMBL1417290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZXSPQQTKVLHBT-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
232.3
MW (Da)
2.34
ALogP
4
HBA
0
HBD
46.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
EC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 5.12 | 5.12 | 7630.0 | 1 |
| Mannose-6-phosphate isomerase CHEMBL2758 | IC50 | 5.0 | 4.95 | 10017.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein RecA | EC50 | = | 7630.0 | nM | 5.12 | PUBCHEM_BIOASSAY: Fluorescence Cell-Free Homogeneous Dose Retest to Identify Inh... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 10017.0 | nM | 5.0 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
| Mannose-6-phosphate isomerase | IC50 | = | 12653.0 | nM | 4.9 | PUBCHEM_BIOASSAY: HTS identification of compounds inhibiting phosphomannose isom... | - |
Data from ChEMBL 36 via Core Engine