Compound Detail
CHEMBL126602
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Basic Information
| ChEMBL ID | CHEMBL126602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYHFPMWIIOXTBM-JLHYYAGUSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
249.3
MW (Da)
2.91
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.4
EC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase Pfmrk CHEMBL4090 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| SGC-7901 CHEMBL614909 | IC50 | 5.03 | 5.03 | 9300.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| BGC-823 CHEMBL614526 | IC50 | 4.88 | 4.88 | 13200.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.85 | 4.85 | 14200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase Pfmrk | IC50 | = | 4000.0 | nM | 5.4 | Inhibitory activity against Plasmodium falciparum cyclin dependent protein kinas... | 12930149 |
| SGC-7901 | IC50 | = | 9300.0 | nM | 5.03 | Cytotoxicity against human SGC7901 cells assessed as cell growth inhibition afte... | 29288946 |
| NCI-H460 | IC50 | = | 10400.0 | nM | 4.98 | Cytotoxicity against human NCI-H460 cells assessed as cell growth inhibition aft... | 29288946 |
| BGC-823 | IC50 | = | 13200.0 | nM | 4.88 | Cytotoxicity against human BGC823 cells assessed as cell growth inhibition after... | 29288946 |
| Unchecked | EC50 | = | 14200.0 | nM | 4.85 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12930149 | 10.1021/jm0300983 | Protein kinase Pfmrk | 2 |
| 12930149 | 10.1021/jm0300983 | Plasmodium falciparum | 2 |
| 12930149 | 10.1021/jm0300983 | Cyclin-dependent kinase 1/cyclin B | 1 |
| 29288946 | 10.1016/j.ejmech.2017.12.043 | BGC-823 | 1 |
| 29288946 | 10.1016/j.ejmech.2017.12.043 | SGC-7901 | 1 |
| 29288946 | 10.1016/j.ejmech.2017.12.043 | NCI-H460 | 1 |
Data from ChEMBL 36 via Core Engine