Compound Detail
CHEMBL1526174
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Basic Information
| ChEMBL ID | CHEMBL1526174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTXWNIBRQUVRQR-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
312.1
MW (Da)
5.02
ALogP
5
HBA
1
HBD
88.1
PSA (Ų)
0.49
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.86
IC50 1 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Luciferin 4-monooxygenase CHEMBL5567 | EC50 | 6.86 | 6.86 | 137.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.79 | 5.79 | 1635.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.7 | 5.51 | 1977.0 | 2 |
| BJ CHEMBL614358 | EC50 | 5.35 | 5.27 | 4439.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Luciferin 4-monooxygenase | EC50 | = | 137.0 | nM | 6.86 | PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibit... | - |
| Unchecked | IC50 | = | 1635.0 | nM | 5.79 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | EC50 | = | 1977.0 | nM | 5.7 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| BJ | EC50 | = | 4439.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Comp... | - |
| Unchecked | EC50 | = | 4738.0 | nM | 5.32 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 5776.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
| BJ | EC50 | = | 5983.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compound... | - |
Data from ChEMBL 36 via Core Engine