Compound Detail
CHEMBL1988579
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Basic Information
| ChEMBL ID | CHEMBL1988579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQWSXOBTGZVEHM-DPVRZMGRSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
491.4
MW (Da)
4.64
ALogP
5
HBA
1
HBD
66.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.0
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.0 | 4.97 | 9880.0 | 2 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.42 | 4.42 | 38400.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 4.34 | 4.34 | 45600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 9880.0 | nM | 5.0 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 11416.0 | nM | 4.94 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 38400.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 45600.0 | nM | 4.34 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
Data from ChEMBL 36 via Core Engine