Compound Detail
CHEMBL1998606
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Basic Information
| ChEMBL ID | CHEMBL1998606 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BIRYQOWPDFSTTB-CGOBSMCZSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
345.7
MW (Da)
3.91
ALogP
5
HBA
2
HBD
66.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.25
EC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 6.25 | 6.25 | 561.9 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.01 | 6.01 | 970.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.57 | 4.3467 | 26832.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Krueppel-like factor 5 | IC50 | = | 561.86 | nM | 6.25 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Unchecked | EC50 | = | 970.0 | nM | 6.01 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 26832.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen assay for KLF5 inhibitors: do... | - |
| Unchecked | IC50 | = | 34740.0 | nM | 4.46 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 98169.0 | nM | 4.01 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
Data from ChEMBL 36 via Core Engine