Compound Detail
CHEMBL590022
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Basic Information
| ChEMBL ID | CHEMBL590022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFBTYTGRUBUUIL-KPKJPENVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
289.3
MW (Da)
3.41
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.43 | 4.43 | 36900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Insulin-like growth factor 1 receptor | IC50 | = | 400.0 | nM | 6.4 | Inhibition of IGF1R by ELISA | 20178321 |
| MCF7 | IC50 | = | 36900.0 | nM | 4.43 | Antiproliferative activity against human MCF7 cells after 72 hrs by SRB assay | 20178321 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 20178321 | 10.1021/jm901798e | Insulin-like growth factor 1 receptor | 1 |
| 20178321 | 10.1021/jm901798e | Insulin receptor | 1 |
| 20178321 | 10.1021/jm901798e | MCF7 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 38157838 | 10.1016/j.bmc.2023.117561 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine