Compound Detail
CHEMBL3398291
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Basic Information
| ChEMBL ID | CHEMBL3398291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPMPPKDUYIHUFS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.22
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 5.16 | 4.965 | 7000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 7000.0 | nM | 5.16 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay | 25677663 |
| A549 | IC50 | = | 17000.0 | nM | 4.77 | Cytotoxicity against human A549 cells after 72 hrs by MTT assay in presence of N... | 25677663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25677663 | 10.1016/j.bmcl.2015.01.057 | A549 | 3 |
| 25677663 | 10.1016/j.bmcl.2015.01.057 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 28214631 | 10.1016/j.ejmech.2017.02.004 | NAD(P)H dehydrogenase [quinone] 1 | 1 |
| 28214631 | 10.1016/j.ejmech.2017.02.004 | NADPH--cytochrome P450 reductase | 1 |
| 28214631 | 10.1016/j.ejmech.2017.02.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine