Compound Detail
CHEMBL1991234
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Basic Information
| ChEMBL ID | CHEMBL1991234 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMRJMRWUBAZBKA-LDRVEFRDSA-N |
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
343.4
MW (Da)
3.41
ALogP
7
HBA
2
HBD
83.2
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.96
IC50 2 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.96 | 5.655 | 1100.0 | 2 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.3 | 5.3 | 4970.0 | 1 |
| Nuclear factor NF-kappa-B complex CHEMBL2094258 | EC50 | 5.19 | 5.19 | 6495.0 | 1 |
| Mitochondrial import inner membrane translocase subunit TIM23 CHEMBL1741180 | IC50 | 4.92 | 4.92 | 11900.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.32 | 4.32 | 48200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1100.0 | nM | 5.96 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Unchecked | EC50 | = | 4510.0 | nM | 5.35 | PUBCHEM_BIOASSAY: Dose response counterscreen of small molecule activators of th... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 4970.0 | nM | 5.3 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Nuclear factor NF-kappa-B complex | EC50 | = | 6495.0 | nM | 5.19 | PUBCHEM_BIOASSAY: Name: High Throughput Screen to Identify Compounds that increa... | - |
| Mitochondrial import inner membrane translocase subunit TIM23 | IC50 | = | 11900.0 | nM | 4.92 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS small molecule inhibitors o... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 48200.0 | nM | 4.32 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine