Compound Detail
CHEMBL2079229
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Basic Information
| ChEMBL ID | CHEMBL2079229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXDGODGPGGAZSS-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.99
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.37 | 7.37 | 43.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.7 | 5.7 | 2010.0 | 2 |
| Tyrosine-protein kinase ABL1 CHEMBL1862 | IC50 | 5.31 | 5.31 | 4861.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 43.0 | nM | 7.37 | Inhibition of Cryptosporidium parvum CDPK1 using PLARTLSVAGLPGKK-OH as substrate | 24494061 |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2010.0 | nM | 5.7 | Inhibition Assay: Inhibition of human tyrosine kinases. | - |
| Proto-oncogene tyrosine-protein kinase Src | IC50 | = | 2010.0 | nM | 5.7 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 4861.0 | nM | 5.31 | Inhibition Assay: Inhibition of human tyrosine kinases. | - |
| Tyrosine-protein kinase ABL1 | IC50 | = | 4861.0 | nM | 5.31 | luminescent kinase assay: Inhibition of TgCDPK1 and CpCDPK1 was determined using... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24494061 | 10.1021/ml400315s | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine