Compound Detail
CHEMBL3199673
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Basic Information
| ChEMBL ID | CHEMBL3199673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDVHFEHZXISHQZ-CXUHLZMHSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.55
ALogP
5
HBA
3
HBD
91.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.37
EC50 2 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 7.37 | 7.37 | 43.1 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.34 | 280.0 | 3 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.16 | 6.16 | 693.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Krueppel-like factor 5 | IC50 | = | 43.06 | nM | 7.37 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Unchecked | EC50 | = | 170.0 | nM | 6.77 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | IC50 | = | 410.0 | nM | 6.39 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Luciferin 4-monooxygenase | EC50 | = | 693.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | IC50 | = | 830.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
Data from ChEMBL 36 via Core Engine