Compound Detail
CHEMBL1488730
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1488730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MBTMOASDDVMTLT-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
3.29
ALogP
4
HBA
0
HBD
35.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.8
IC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.8 | 6.1567 | 158.0 | 3 |
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 5.72 | 5.72 | 1903.0 | 1 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.67 | 5.67 | 2157.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.67 | 4.67 | 21453.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 158.0 | nM | 6.8 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 239.0 | nM | 6.62 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Krueppel-like factor 5 | IC50 | = | 1903.0 | nM | 5.72 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Luciferin 4-monooxygenase | EC50 | = | 2157.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | EC50 | = | 8851.0 | nM | 5.05 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 21453.0 | nM | 4.67 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen assay for KLF5 inhibitors: do... | - |
Data from ChEMBL 36 via Core Engine