Compound Detail
CHEMBL169978
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Basic Information
| ChEMBL ID | CHEMBL169978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIGBLHZVXJZZQE-DLBZAZTESA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
287.5
MW (Da)
3.76
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H322 CHEMBL614573 | IC50 | 5.84 | 5.84 | 1450.0 | 1 |
| UMSCC22B CHEMBL612798 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 5.58 | 5.58 | 2660.0 | 1 |
| WiDr CHEMBL614647 | IC50 | 5.56 | 5.56 | 2760.0 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 5.54 | 5.54 | 2860.0 | 1 |
| Colon 26 CHEMBL614466 | IC50 | 5.43 | 5.43 | 3680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H322 | IC50 | = | 1450.0 | nM | 5.84 | In vitro inhibitory activity against H322 human NSCLC cell line | 10206543 |
| UMSCC22B | IC50 | = | 1890.0 | nM | 5.72 | In vitro inhibitory activity against human and neck squamous cell carcinoma UMSC... | 10206543 |
| A2780 | IC50 | = | 2660.0 | nM | 5.58 | In vitro inhibitory activity against human ovarian cancer A2780 cell line | 10206543 |
| WiDr | IC50 | = | 2760.0 | nM | 5.56 | In vitro inhibitory activity against human colon carcinoma WiDr cell line; | 10206543 |
| Lewis lung carcinoma cell line | IC50 | = | 2860.0 | nM | 5.54 | In vitro inhibitory activity against LL murine NSCLC cell line; | 10206543 |
| Colon 26 | IC50 | = | 3680.0 | nM | 5.43 | In vitro inhibitory activity against murine colon carcinoma C26-10 cell line | 10206543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10206543 | 10.1016/s0960-894x(99)00084-0 | A2780 | 1 |
| 10206543 | 10.1016/s0960-894x(99)00084-0 | H322 | 1 |
| 10206543 | 10.1016/s0960-894x(99)00084-0 | Lewis lung carcinoma cell line | 1 |
| 10206543 | 10.1016/s0960-894x(99)00084-0 | WiDr | 1 |
| 10206543 | 10.1016/s0960-894x(99)00084-0 | Colon 26 | 1 |
| 10206543 | 10.1016/s0960-894x(99)00084-0 | UMSCC22B | 1 |
| 10206543 | 10.1016/s0960-894x(99)00084-0 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine