Compound Detail
CHEMBL1330191
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Basic Information
| ChEMBL ID | CHEMBL1330191 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LITYOAMZVKPAFJ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
252.4
MW (Da)
3.73
ALogP
1
HBA
2
HBD
41.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.95
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Epoxide hydrolase 1 CHEMBL1075293 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Epoxide hydrolase 1 CHEMBL1968 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.95 | 5.6433 | 1120.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Epoxide hydrolase 1 | IC50 | = | 50.0 | nM | 7.3 | Activity Assay: The invention also provide methods for assaying for epoxide hydr... | - |
| Epoxide hydrolase 1 | IC50 | = | 90.0 | nM | 7.05 | Activity Assay: The invention also provide methods for assaying for epoxide hydr... | - |
| Unchecked | EC50 | = | 1120.0 | nM | 5.95 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Unchecked | EC50 | = | 1838.0 | nM | 5.74 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response to Identify Activators o... | - |
| Unchecked | EC50 | = | 5810.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... | - |
Data from ChEMBL 36 via Core Engine