Compound Detail
CHEMBL226923
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Basic Information
| ChEMBL ID | CHEMBL226923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKRCXSCDWKJWSW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
184.6
MW (Da)
2.35
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.06
IC50 1 meas. best 5.95
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MV4-11 | IC50 | = | 1130.0 | nM | 5.95 | Cytotoxicity against human MV4-11 cells assessed as reduction in cell viability ... | 30034592 |
| HT-29 | EC50 | = | 8700.0 | nM | 5.06 | Apoptosis induction in human HT29 cells after 24 hrs | 17441704 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17441704 | 10.1021/jm061371e | HT-29 | 4 |
| 36262394 | 10.1021/acsmedchemlett.2c00126 | ADMET | 2 |
| 17441704 | 10.1021/jm061371e | SW480 | 1 |
| 30034592 | 10.1021/acsmedchemlett.8b00057 | MV4-11 | 1 |
| 32292547 | 10.1021/acsmedchemlett.9b00513 | A549 | 1 |
| 32292547 | 10.1021/acsmedchemlett.9b00513 | MCF7 | 1 |
| 32292547 | 10.1021/acsmedchemlett.9b00513 | HCT-116 | 1 |
| 36262394 | 10.1021/acsmedchemlett.2c00126 | Lysine-specific histone demethylase 1A | 1 |
| 36262394 | 10.1021/acsmedchemlett.2c00126 | MDA-MB-231 | 1 |
| 36262394 | 10.1021/acsmedchemlett.2c00126 | NCI-H526 | 1 |
| 36262394 | 10.1021/acsmedchemlett.2c00126 | HMEC | 1 |
Data from ChEMBL 36 via Core Engine