Compound Detail
CHEMBL3910864
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Basic Information
| ChEMBL ID | CHEMBL3910864 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFHZLKHCNFBTRZ-UHFFFAOYSA-N |
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
4.56
ALogP
5
HBA
4
HBD
84.7
PSA (Ų)
0.22
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.16 | 5.7143 | 700.0 | 7 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 700.0 | nM | 6.16 | Cytotoxicity against human NCI-H441 cells assessed as decrease in cell viability... | 27650927 |
| NON-PROTEIN TARGET | IC50 | = | 1200.0 | nM | 5.92 | Cytotoxicity against human NCI-H1993 cells assessed as decrease in cell viabilit... | 27650927 |
| NON-PROTEIN TARGET | IC50 | = | 1400.0 | nM | 5.85 | Cytotoxicity against human NCI-H2009 cells assessed as decrease in cell viabilit... | 27650927 |
| NON-PROTEIN TARGET | IC50 | = | 1600.0 | nM | 5.8 | Cytotoxicity against human NCI-H1299 cells assessed as decrease in cell viabilit... | 27650927 |
| NON-PROTEIN TARGET | IC50 | = | 2900.0 | nM | 5.54 | Cytotoxicity against human A549 cells assessed as decrease in cell viability aft... | 27650927 |
| NON-PROTEIN TARGET | IC50 | = | 3300.0 | nM | 5.48 | Cytotoxicity against human NCI-H1373 cells assessed as decrease in cell viabilit... | 27650927 |
| NON-PROTEIN TARGET | IC50 | = | 5600.0 | nM | 5.25 | Cytotoxicity against human IMR90 cells assessed as decrease in cell viability af... | 27650927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27650927 | 10.1016/j.bmcl.2016.09.030 | NCI-H1299 | 10 |
| 27650927 | 10.1016/j.bmcl.2016.09.030 | NON-PROTEIN TARGET | 7 |
| 27650927 | 10.1016/j.bmcl.2016.09.030 | Molecular identity unknown | 3 |
| 27650927 | 10.1016/j.bmcl.2016.09.030 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine