Compound Detail
CHEMBL167099
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Basic Information
| ChEMBL ID | CHEMBL167099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBMMHKQWOCTMBP-VQTJNVASSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
387.6
MW (Da)
5.32
ALogP
4
HBA
3
HBD
78.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 4.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H322 CHEMBL614573 | IC50 | 4.74 | 4.74 | 18010.0 | 1 |
| WiDr CHEMBL614647 | IC50 | 4.68 | 4.68 | 20820.0 | 1 |
| UMSCC22B CHEMBL612798 | IC50 | 4.62 | 4.62 | 23840.0 | 1 |
| Lewis lung carcinoma cell line CHEMBL614088 | IC50 | 4.62 | 4.62 | 24180.0 | 1 |
| Colon 26 CHEMBL614466 | IC50 | 4.53 | 4.53 | 29340.0 | 1 |
| A2780 CHEMBL614004 | IC50 | 4.52 | 4.52 | 30400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H322 | IC50 | = | 18010.0 | nM | 4.74 | In vitro inhibitory activity against H322 human NSCLC cell line | 10206543 |
| WiDr | IC50 | = | 20820.0 | nM | 4.68 | In vitro inhibitory activity against human colon carcinoma WiDr cell line; | 10206543 |
| Lewis lung carcinoma cell line | IC50 | = | 24180.0 | nM | 4.62 | In vitro inhibitory activity against LL murine NSCLC cell line; | 10206543 |
| UMSCC22B | IC50 | = | 23840.0 | nM | 4.62 | In vitro inhibitory activity against human and neck squamous cell carcinoma UMSC... | 10206543 |
| Colon 26 | IC50 | = | 29340.0 | nM | 4.53 | In vitro inhibitory activity against murine colon carcinoma C26-10 cell line | 10206543 |
| A2780 | IC50 | = | 30400.0 | nM | 4.52 | In vitro inhibitory activity against human ovarian cancer A2780 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