Compound Detail
CHEMBL3195189
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Basic Information
| ChEMBL ID | CHEMBL3195189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDGMVEGBYYRCQP-ZVBGSRNCSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.4
MW (Da)
2.82
ALogP
8
HBA
2
HBD
124.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.77
IC50 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.77 | 6.31 | 171.0 | 3 |
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 5.96 | 5.96 | 1097.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.85 | 5.53 | 1404.2 | 2 |
| HEK293 CHEMBL614818 | EC50 | 5.38 | 5.38 | 4144.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 171.0 | nM | 6.77 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | EC50 | = | 192.0 | nM | 6.72 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Luciferin 4-monooxygenase | EC50 | = | 1097.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| HEK293 | IC50 | = | 1404.25 | nM | 5.85 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| Unchecked | EC50 | = | 3666.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| HEK293 | EC50 | = | 4144.0 | nM | 5.38 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 6102.0 | nM | 5.21 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
Data from ChEMBL 36 via Core Engine