Compound Detail
CHEMBL4650311
ONC-206 Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4650311 |
| Name | ONC-206 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | ITMGVSSHWMTJRR-UHFFFAOYSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
8
Publications
3
Known Names
Molecular Properties
408.4
MW (Da)
3.14
ALogP
4
HBA
0
HBD
39.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 5 meas. best 6.64
EC50 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.64 | 6.64 | 230.0 | 1 |
| SPEC-2 CHEMBL6066750 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| USPC-ARK-1 CHEMBL6066748 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
| MIA PaCa-2 CHEMBL614725 | IC50 | 6.4 | 6.4 | 400.0 | 1 |
| ATP-dependent Clp protease proteolytic subunit, mitochondrial CHEMBL4523305 | EC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 230.0 | nM | 6.64 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 39172943 |
| SPEC-2 | IC50 | = | 240.0 | nM | 6.62 | Antiproliferative activity against human SPEC-2 cells assessed as reduction in c... | 38911148 |
| HCT-116 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human HCT-116 cells assessed as inhibition of... | 39172943 |
| USPC-ARK-1 | IC50 | = | 330.0 | nM | 6.48 | Antiproliferative activity against human USPC-ARK-1 cells assessed as reduction ... | 38911148 |
| MIA PaCa-2 | IC50 | = | 400.0 | nM | 6.4 | Antiproliferative activity against human MIA PaCa-2 cells assessed as inhibition... | 39172943 |
| ATP-dependent Clp protease proteolytic subunit, mitochondrial | EC50 | = | 560.0 | nM | 6.25 | Activation of human recombinant his-sumo tagged ClpP expressed in Escherichia co... | 39172943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38911148 | 10.1039/d4md00089g | USPC-ARK-1 | 6 |
| 38911148 | 10.1039/d4md00089g | SPEC-2 | 6 |
| 38911148 | 10.1039/d4md00089g | ECC-1 | 1 |
| 38911148 | 10.1039/d4md00089g | Ishikawa | 1 |
| 39172943 | 10.1021/acs.jmedchem.4c00798 | ATP-dependent Clp protease proteolytic subunit, mitochondrial | 1 |
| 39172943 | 10.1021/acs.jmedchem.4c00798 | MIA PaCa-2 | 1 |
| 39172943 | 10.1021/acs.jmedchem.4c00798 | HCT-116 | 1 |
| 39172943 | 10.1021/acs.jmedchem.4c00798 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine