Compound Detail
CHEMBL1197658
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Basic Information
| ChEMBL ID | CHEMBL1197658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPRZKNDPFKQQOC-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.89
ALogP
5
HBA
2
HBD
63.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.0
EC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 5.0 | 5.0 | 10060.0 | 1 |
| Son of sevenless homolog 1 CHEMBL2079846 | EC50 | 4.79 | 4.79 | 16400.0 | 1 |
| DU-145 CHEMBL613508 | IC50 | 4.71 | 4.71 | 19650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 10060.0 | nM | 5.0 | Anticancer activity against human HT-29 cells by MTT assay | 21306907 |
| Son of sevenless homolog 1 | EC50 | = | 16400.0 | nM | 4.79 | Activation of SOS1 in human HeLa cells assessed as increase in RAS-GTP levels af... | 30258545 |
| DU-145 | IC50 | = | 19650.0 | nM | 4.71 | Anticancer activity against human DU145 cells by MTT assay | 21306907 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21306907 | 10.1016/j.bmc.2011.01.023 | HT-29 | 3 |
| 21306907 | 10.1016/j.bmc.2011.01.023 | SK-MEL-2 | 2 |
| 21306907 | 10.1016/j.bmc.2011.01.023 | DU-145 | 2 |
| 30258545 | 10.1021/acsmedchemlett.8b00296 | Son of sevenless homolog 1 | 2 |
| 21306907 | 10.1016/j.bmc.2011.01.023 | SK-OV-3 | 1 |
| - | 10.6019/CHEMBL3301361 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine