Compound Detail
CHEMBL322502
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Basic Information
| ChEMBL ID | CHEMBL322502 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTOZDHWZSJJCRE-UHFFFAOYSA-N |
8
Targets
9
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
3.40
ALogP
5
HBA
0
HBD
65.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| LoVo CHEMBL614721 | IC50 | 9.52 | 9.52 | 0.3 | 1 |
| J82 CHEMBL614586 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| HCT-15 CHEMBL612263 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| A-427 CHEMBL614515 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.22 | 7.72 | 6.0 | 2 |
| T47D CHEMBL614361 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LoVo | IC50 | = | 0.3 | nM | 9.52 | In vitro inhibition of LoVo (human colon cancer) cell growth. | 11563926 |
| A549 | IC50 | = | 0.3 | nM | 9.52 | In vitro inhibition of A549 (human lung cancer) cell growth. | 11563926 |
| J82 | IC50 | = | 0.9 | nM | 9.05 | In vitro inhibition of J82 (human bladder cancer) cell growth. | 11563926 |
| HCT-15 | IC50 | = | 2.0 | nM | 8.7 | In vitro inhibition of HCT-15 (human colon cancer) cell growth. | 11563926 |
| A-427 | IC50 | = | 5.0 | nM | 8.3 | In vitro inhibition of A-427 (human lung cancer) cell growth. | 11563926 |
| Unchecked | IC50 | = | 6.0 | nM | 8.22 | In vitro inhibition of T24 (human bladder cancer) cell growth. | 11563926 |
| T47D | IC50 | = | 30.0 | nM | 7.52 | In vitro inhibition of T-47D (human breast cancer) cell growth. | 11563926 |
| Unchecked | IC50 | = | 60.0 | nM | 7.22 | In vitro inhibition of A172 (human glioblastoma) cell growth. | 11563926 |
| PC-3 | IC50 | = | 60.0 | nM | 7.22 | In vitro inhibition of PC-3 (human prostate cancer) cell growth. | 11563926 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11563926 | 10.1021/jm0108496 | Unchecked | 2 |
| 11563926 | 10.1021/jm0108496 | U-87 MG | 1 |
| 11563926 | 10.1021/jm0108496 | U373 MG | 1 |
| 11563926 | 10.1021/jm0108496 | J82 | 1 |
| 11563926 | 10.1021/jm0108496 | HCT-15 | 1 |
| 11563926 | 10.1021/jm0108496 | LoVo | 1 |
| 11563926 | 10.1021/jm0108496 | MCF7 | 1 |
| 11563926 | 10.1021/jm0108496 | T47D | 1 |
| 11563926 | 10.1021/jm0108496 | A549 | 1 |
| 11563926 | 10.1021/jm0108496 | A-427 | 1 |
| 11563926 | 10.1021/jm0108496 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine