Compound Detail
CHEMBL107514
(R)-EDELFOSINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL107514 |
| Name | (R)-EDELFOSINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHFRGQHAERHWKZ-HHHXNRCGSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
523.7
MW (Da)
6.49
ALogP
6
HBA
0
HBD
77.0
PSA (Ų)
0.07
QED
2
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CML/BC CHEMBL614800 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| AMML CHEMBL614270 | IC50 | 5.48 | 5.48 | 3300.0 | 1 |
| RBL-2H3 CHEMBL614632 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| Glioblastoma cell line CHEMBL614503 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
| NSCLC CHEMBL612554 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| Small cell lung cancer cell line CHEMBL612561 | IC50 | 4.62 | 4.62 | 24000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CML/BC | IC50 | = | 1500.0 | nM | 5.82 | Compound was tested for the inhibition of CML/BC(chronic myeloid leukemia, blast... | 3761322 |
| HL-60 | IC50 | = | 2500.0 | nM | 5.6 | Compound was tested for the inhibition of human HL60 Leukemia | 3761322 |
| AMML | IC50 | = | 3300.0 | nM | 5.48 | Compound was tested for the inhibition of AMML (acute myelomonocytic leukemia) | 3761322 |
| RBL-2H3 | IC50 | = | 7100.0 | nM | 5.15 | Inhibition of rat RBL2H3 cell granulation assessed as reduction of beta hexasami... | 20153565 |
| Glioblastoma cell line | IC50 | = | 20000.0 | nM | 4.7 | Compound was tested for the inhibition of glioblastoma | 3761322 |
| NSCLC | IC50 | = | 21000.0 | nM | 4.68 | Compound was tested for the inhibition of non- small cell lung cancer | 3761322 |
| Small cell lung cancer cell line | IC50 | = | 24000.0 | nM | 4.62 | Compound was tested for the inhibition of small cell lung cancer | 3761322 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3761322 | 10.1021/jm00160a041 | L1210 | 5 |
| 8765506 | 10.1021/jm960164j | MCF7 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 29017116 | 10.1016/j.ejmech.2017.09.032 | Unchecked | 2 |
| 29017116 | 10.1016/j.ejmech.2017.09.032 | Leishmania infantum | 2 |
| 20153565 | 10.1016/j.ejmech.2010.01.061 | RBL-2H3 | 2 |
| 8765506 | 10.1021/jm960164j | L1210 | 2 |
| 8765506 | 10.1021/jm960164j | P388 | 2 |
| 3761322 | 10.1021/jm00160a041 | AMML | 1 |
| 3761322 | 10.1021/jm00160a041 | CML/BC | 1 |
| 3761322 | 10.1021/jm00160a041 | HL-60 | 1 |
| 3761322 | 10.1021/jm00160a041 | Glioblastoma cell line | 1 |
| 3761322 | 10.1021/jm00160a041 | Small cell lung cancer cell line | 1 |
| 3761322 | 10.1021/jm00160a041 | NSCLC | 1 |
| 20153565 | 10.1016/j.ejmech.2010.01.061 | ADMET | 1 |
| 8765506 | 10.1021/jm960164j | Lewis lung carcinoma cell line | 1 |
| 29017116 | 10.1016/j.ejmech.2017.09.032 | THP-1 | 1 |
| 8765506 | 10.1021/jm960164j | HT-29 | 1 |
| 8765506 | 10.1021/jm960164j | A549 | 1 |
Data from ChEMBL 36 via Core Engine