Compound Detail
CHEMBL434914
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Basic Information
| ChEMBL ID | CHEMBL434914 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WCMLGCSFKJKAGR-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
5.30
ALogP
3
HBA
0
HBD
41.8
PSA (Ų)
0.55
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H460 CHEMBL396 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| M109 CHEMBL614073 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.15 | 5.15 | 7100.0 | 1 |
| LoVo CHEMBL614721 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H460 | IC50 | = | 1700.0 | nM | 5.77 | In vitro cytotoxic activity of compound against human lung carcinoma (NCI-H460) ... | 15974589 |
| M109 | IC50 | = | 1800.0 | nM | 5.75 | In vitro cytotoxic activity of compound against (M109) mouse lung carcinoma cell... | 15974589 |
| HT-29 | IC50 | = | 1900.0 | nM | 5.72 | In vitro cytotoxic activity of compound against human colon adenocarcinoma (HT-2... | 15974589 |
| NON-PROTEIN TARGET | IC50 | = | 7100.0 | nM | 5.15 | In vitro cytotoxic activity of compound against (MesSa) human uterine sarcoma ce... | 15974589 |
| LoVo | IC50 | = | 9200.0 | nM | 5.04 | In vitro cytotoxic activity of compound against (LoVo) human colon adenocarcinom... | 15974589 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974589 | 10.1021/jm049402y | Mus musculus | 4 |
| 15974589 | 10.1021/jm049402y | HL-60 | 1 |
| 15974589 | 10.1021/jm049402y | K562 | 1 |
| 15974589 | 10.1021/jm049402y | NCI-H460 | 1 |
| 15974589 | 10.1021/jm049402y | HT-29 | 1 |
| 15974589 | 10.1021/jm049402y | LoVo | 1 |
| 15974589 | 10.1021/jm049402y | M109 | 1 |
| 15974589 | 10.1021/jm049402y | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine