Compound Detail
CHEMBL4285229
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Basic Information
| ChEMBL ID | CHEMBL4285229 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUUVSDTWKFXNRA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
402.4
MW (Da)
3.61
ALogP
4
HBA
3
HBD
95.5
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H2122 CHEMBL1075533 | EC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H2122 | EC50 | = | 1500.0 | nM | 5.82 | Cytotoxicity against human NCI-H2122 cells incubated for 4 days | 29869888 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29869888 | 10.1021/acs.jmedchem.8b00052 | Acyl-CoA desaturase 1 | 1 |
| 29869888 | 10.1021/acs.jmedchem.8b00052 | NCI-H2122 | 1 |
Data from ChEMBL 36 via Core Engine