Compound Detail
CHEMBL1605701
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Basic Information
| ChEMBL ID | CHEMBL1605701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNLKZDSCRGNKLD-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
408.8
MW (Da)
2.88
ALogP
5
HBA
1
HBD
69.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.31
EC50 1 meas. best 4.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type CHEMBL3402 | IC50 | 5.31 | 5.155 | 4870.0 | 2 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.63 | 4.63 | 23359.5 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.21 | 4.21 | 61900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alkaline phosphatase, germ cell type | IC50 | = | 4870.0 | nM | 5.31 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Alkaline phosphatase, germ cell type | IC50 | = | 9930.0 | nM | 5.0 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical inhibitors of ... | - |
| Heat shock protein HSP90 | IC50 | = | 23359.5 | nM | 4.63 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 61900.0 | nM | 4.21 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
Data from ChEMBL 36 via Core Engine