Compound Detail
CHEMBL413443
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Basic Information
| ChEMBL ID | CHEMBL413443 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWABPESLGHOJPB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
1.71
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.3
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SK-N-MC | IC50 | = | 50.0 | nM | 7.3 | Antiproliferative activity against human SK-N-MC cells after 96 hrs by MTT assay | 17064069 |
| HL-60 | IC50 | = | 50.0 | nM | 7.3 | Antiproliferative activity against human HL60 cells after 72 hrs by MTT assay | 19090766 |
| SK-N-MC | IC50 | = | 60.0 | nM | 7.22 | Antiproliferative activity at human SK-N-MC cells after 72 hrs by MTT assay | 22861499 |
| SK-N-MC | IC50 | = | 80.0 | nM | 7.1 | Antiproliferative activity against human SK-N-MC cells after 72 hrs by MTT assay | 17602603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064069 | 10.1021/jm0606342 | No relevant target | 1 |
| 17064069 | 10.1021/jm0606342 | SK-N-MC | 1 |
| 17064069 | 10.1021/jm0606342 | Unchecked | 1 |
| 17602603 | 10.1021/jm070445z | No relevant target | 1 |
| 17602603 | 10.1021/jm070445z | SK-N-MC | 1 |
| 19090766 | 10.1021/jm801012z | No relevant target | 1 |
| 19090766 | 10.1021/jm801012z | HL-60 | 1 |
| 19601577 | 10.1021/jm900552r | No relevant target | 1 |
| 22861499 | 10.1021/jm300768u | SK-N-MC | 1 |
Data from ChEMBL 36 via Core Engine