Compound Detail
CHEMBL22062
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Basic Information
| ChEMBL ID | CHEMBL22062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSHKKYSYOUUOFF-UHFFFAOYSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
5.09
ALogP
3
HBA
2
HBD
54.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 6.27
IC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.27 | 5.845 | 536.0 | 4 |
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.45 | 5.45 | 3540.0 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.22 | 5.22 | 5981.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 100.0 | nM | 7.0 | Inhibitory concentration to reduce the growth of L1210 cells by 50% after 70 hr.... | 3820217 |
| Unchecked | EC50 | = | 536.0 | nM | 6.27 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Unchecked | EC50 | = | 556.0 | nM | 6.25 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 1325.0 | nM | 5.88 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Retest of Candida albicans Growth in t... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 3540.0 | nM | 5.45 | Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL... | 36913900 |
| ATP-dependent molecular chaperone HSP82 | EC50 | = | 5981.0 | nM | 5.22 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay to Identify Inhibitors... | - |
| Unchecked | EC50 | = | 10480.0 | nM | 4.98 | PUBCHEM_BIOASSAY: Fluorescence Cell-Based Secondary Assay for toxicity in mammal... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| 7205885 | 10.1021/jm00134a009 | Nucleic Acid | 2 |
| 36913900 | 10.1016/j.ejmech.2023.115255 | Lysine-specific histone demethylase 1A | 2 |
| 20485428 | 10.1038/nature09099 | Plasmodium falciparum | 2 |
| 3820217 | 10.1021/jm00386a006 | L1210 | 2 |
| 7143362 | 10.1021/jm00352a027 | P388 | 2 |
| 7205885 | 10.1021/jm00134a009 | Mus musculus | 2 |
| 7143362 | 10.1021/jm00352a027 | L1210 | 1 |
| 7143362 | 10.1021/jm00352a027 | Nucleic Acid | 1 |
| 7069706 | 10.1021/jm00345a015 | L1210 | 1 |
| 7069706 | 10.1021/jm00345a015 | Mus sp. | 1 |
| 7069706 | 10.1021/jm00345a015 | No relevant target | 1 |
| 7120279 | 10.1021/jm00350a004 | L1210 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 7205885 | 10.1021/jm00134a009 | Calf thymus DNA | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
| 7205885 | 10.1021/jm00134a009 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine