Compound Detail
CHEMBL3786210
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Basic Information
| ChEMBL ID | CHEMBL3786210 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOMMFAATMQXBPQ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
466.2
MW (Da)
5.20
ALogP
3
HBA
1
HBD
52.9
PSA (Ų)
0.67
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 5.04 | 5.04 | 9170.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.95 | 4.86 | 11300.0 | 2 |
| Bcap37 CHEMBL613842 | IC50 | 4.57 | 4.57 | 27210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 9170.0 | nM | 5.04 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 26900656 |
| NON-PROTEIN TARGET | IC50 | = | 11300.0 | nM | 4.95 | Cytotoxicity against human PC3 cells after 48 hrs by MTT assay | 26900656 |
| NON-PROTEIN TARGET | IC50 | = | 17110.0 | nM | 4.77 | Cytotoxicity against human MGC803 cells after 48 hrs by MTT assay | 26900656 |
| Bcap37 | IC50 | = | 27210.0 | nM | 4.57 | Cytotoxicity against human Bcap37 cells after 48 hrs by MTT assay | 26900656 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26900656 | 10.1016/j.ejmech.2016.02.009 | NON-PROTEIN TARGET | 2 |
| 26900656 | 10.1016/j.ejmech.2016.02.009 | HepG2 | 1 |
| 26900656 | 10.1016/j.ejmech.2016.02.009 | Bcap37 | 1 |
Data from ChEMBL 36 via Core Engine