Compound Detail
CHEMBL4585739
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Basic Information
| ChEMBL ID | CHEMBL4585739 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFQPQIGILBZPM-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
5.65
ALogP
5
HBA
1
HBD
77.5
PSA (Ų)
0.44
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transcriptional activator Myb CHEMBL5169115 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| 518A2 CHEMBL4483222 | IC50 | 5.78 | 5.78 | 1660.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.67 | 5.67 | 2150.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.63 | 5.63 | 2337.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.24 | 5.24 | 5820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transcriptional activator Myb | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of c-Myb (unknown origin) expressed in HEK293T cells measured after 1... | 36385941 |
| 518A2 | IC50 | = | 1660.0 | nM | 5.78 | Antiproliferative activity against human 518A2 cells after 72 hrs by MTT assay | 30503940 |
| A2780 | IC50 | = | 2150.0 | nM | 5.67 | Antiproliferative activity against human A2780 cells after 72 hrs by SRB assay | 30503940 |
| Unchecked | IC50 | = | 2337.0 | nM | 5.63 | Antiproliferative activity against human A2780cis cells after 72 hrs by SRB assa... | 30503940 |
| HT-29 | IC50 | = | 5820.0 | nM | 5.24 | Antiproliferative activity against human HT-29 cells after 72 hrs by MTT assay | 30503940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30503940 | 10.1016/j.ejmech.2018.11.055 | 518A2 | 2 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | HT-29 | 1 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | A2780 | 1 |
| 30503940 | 10.1016/j.ejmech.2018.11.055 | Unchecked | 1 |
| 36385941 | 10.1021/acsmedchemlett.2c00403 | Transcriptional activator Myb | 1 |
Data from ChEMBL 36 via Core Engine