Compound Detail
CHEMBL432002
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Basic Information
| ChEMBL ID | CHEMBL432002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFOMLSFQSVGEHK-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
3.45
ALogP
8
HBA
2
HBD
103.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.27
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 5.4 | nM | 8.27 | Concentration which produces 50% inhibition of growth of murine melanoma B16 cel... | 11714613 |
| MCF7 | IC50 | = | 5.7 | nM | 8.24 | Concentration which produces 50% inhibition of growth of human breast tumor MCF-... | 11714613 |
| HCT-116 | IC50 | = | 6.1 | nM | 8.21 | Concentration which produces 50% inhibition of growth of human colon tumor HCT 1... | 11714613 |
| PC-3 | IC50 | = | 6.4 | nM | 8.19 | Concentration which produces 50% inhibition of growth of prostate tumor cell lin... | 11714613 |
| A549 | IC50 | = | 7.9 | nM | 8.1 | Concentration which produces 50% inhibition of growth of human lung carcinoma ce... | 11714613 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11714613 | 10.1016/s0960-894x(01)00622-9 | B16 | 1 |
| 11714613 | 10.1016/s0960-894x(01)00622-9 | HCT-116 | 1 |
| 11714613 | 10.1016/s0960-894x(01)00622-9 | MCF7 | 1 |
| 11714613 | 10.1016/s0960-894x(01)00622-9 | A549 | 1 |
| 11714613 | 10.1016/s0960-894x(01)00622-9 | PC-3 | 1 |
Data from ChEMBL 36 via Core Engine