Compound Detail
CHEMBL1401272
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Basic Information
| ChEMBL ID | CHEMBL1401272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCFZSPVQFIPQML-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
305.3
MW (Da)
3.49
ALogP
4
HBA
2
HBD
79.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.08
EC50 2 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.08 | 5.54 | 840.0 | 3 |
| Unchecked CHEMBL612545 | EC50 | 6.06 | 6.035 | 870.0 | 2 |
| Cdc2-related kinase CHEMBL2169723 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 840.0 | nM | 6.08 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
| Unchecked | EC50 | = | 870.0 | nM | 6.06 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhi... | - |
| Unchecked | EC50 | = | 983.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Inhibito... | - |
| Unchecked | IC50 | = | 1050.0 | nM | 5.98 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| Cdc2-related kinase | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of Leishmania major CRK3 expressed in Escherichia coli BL21 (DE3) usi... | 23063403 |
| Unchecked | IC50 | = | 27800.0 | nM | 4.56 | PUBCHEM_BIOASSAY: Dose response cytotoxicity of uHTS chemical inhibitors of T-ce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23063403 | 10.1016/j.bmcl.2012.09.044 | Cdc2-related kinase | 1 |
Data from ChEMBL 36 via Core Engine