Compound Detail
CHEMBL3099865
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Basic Information
| ChEMBL ID | CHEMBL3099865 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDCGZNWDJSNZMA-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
4.21
ALogP
7
HBA
1
HBD
66.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| L1210 CHEMBL386 | IC50 | 7.17 | 7.17 | 67.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.14 | 6.9967 | 72.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 66.0 | nM | 7.18 | Cytotoxicity against human HeLa cells assessed as growth inhibition after 48 hrs... | 24164557 |
| L1210 | IC50 | = | 67.0 | nM | 7.17 | Cytotoxicity against mouse L1210 cells assessed as growth inhibition after 48 hr... | 24164557 |
| NON-PROTEIN TARGET | IC50 | = | 72.0 | nM | 7.14 | Cytotoxicity against human CEM/0 cells assessed as growth inhibition after 48 hr... | 24164557 |
| NON-PROTEIN TARGET | IC50 | = | 74.0 | nM | 7.13 | Cytotoxicity against human Molt4/C8 cells assessed as growth inhibition after 48... | 24164557 |
| NON-PROTEIN TARGET | IC50 | = | 190.0 | nM | 6.72 | Cytotoxicity against mouse FM3A/0 cells assessed as growth inhibition after 48 h... | 24164557 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24164557 | 10.1021/jm4013938 | NON-PROTEIN TARGET | 3 |
| 24164557 | 10.1021/jm4013938 | HeLa | 1 |
| 24164557 | 10.1021/jm4013938 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine