Compound Detail
CHEMBL1427609
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Basic Information
| ChEMBL ID | CHEMBL1427609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLPPDVJOSGSWOJ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
450.6
MW (Da)
4.71
ALogP
9
HBA
1
HBD
85.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 CHEMBL1795098 | IC50 | 5.18 | 5.18 | 6595.0 | 1 |
| Dual specificity protein phosphatase 6 CHEMBL5511 | IC50 | 5.16 | 5.05 | 6900.0 | 3 |
| Tyrosine-protein phosphatase non-receptor type 7 CHEMBL2219 | IC50 | 4.89 | 4.89 | 12800.0 | 1 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 4.56 | 4.56 | 27400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 | IC50 | = | 6595.0 | nM | 5.18 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for Scp-1 phosphatase ... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 6900.0 | nM | 5.16 | PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 9410.0 | nM | 5.03 | PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... | - |
| Dual specificity protein phosphatase 6 | IC50 | = | 11000.0 | nM | 4.96 | PUBCHEM_BIOASSAY: MKP-3 in vitro HTS assay. (Class of assay: confirmatory) [Rela... | - |
| Tyrosine-protein phosphatase non-receptor type 7 | IC50 | = | 12800.0 | nM | 4.89 | PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... | - |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 27400.0 | nM | 4.56 | PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... | - |
Data from ChEMBL 36 via Core Engine