Compound Detail
CHEMBL5270553
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Basic Information
| ChEMBL ID | CHEMBL5270553 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACOMMRYCQCASIA-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.46
ALogP
6
HBA
1
HBD
76.1
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CAL-27 CHEMBL1075408 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Detroit 562 CHEMBL1075432 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| UMSCC1 CHEMBL3707168 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.06 | 5.06 | 8700.0 | 2 |
| HEp-2 CHEMBL614735 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| SCL-1 CHEMBL614903 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEp-2 | IC50 | = | 8700.0 | nM | 5.06 | Cytotoxicity against human HEp-2 cells assessed as inhibition of cell growth inc... | 33454546 |
| SCL-1 | IC50 | = | 8700.0 | nM | 5.06 | Cytotoxicity against human SCL-1 cells assessed as inhibition of cell growth inc... | 33454546 |
| CAL-27 | IC50 | = | 8700.0 | nM | 5.06 | Cytotoxicity against human CAL-27 cells assessed as inhibition of cell growth in... | 33454546 |
| UMSCC1 | IC50 | = | 8700.0 | nM | 5.06 | Cytotoxicity against human UMSCC1 cells assessed as inhibition of cell growth in... | 33454546 |
| Detroit 562 | IC50 | = | 8700.0 | nM | 5.06 | Cytotoxicity against human Detroit 562 cells assessed as inhibition of cell grow... | 33454546 |
| Unchecked | IC50 | = | 8700.0 | nM | 5.06 | Cytotoxicity against SCC-PKU cells (unknown origin) assessed as inhibition of ce... | 33454546 |
| Unchecked | IC50 | = | 8700.0 | nM | 5.06 | Cytotoxicity against TCA-83 cells (unknown origin) assessed as inhibition of cel... | 33454546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33454546 | 10.1016/j.ejmech.2021.113165 | Unchecked | 2 |
| 33454546 | 10.1016/j.ejmech.2021.113165 | Prostaglandin G/H synthase 2 | 1 |
| 33454546 | 10.1016/j.ejmech.2021.113165 | HEp-2 | 1 |
| 33454546 | 10.1016/j.ejmech.2021.113165 | SCL-1 | 1 |
| 33454546 | 10.1016/j.ejmech.2021.113165 | CAL-27 | 1 |
| 33454546 | 10.1016/j.ejmech.2021.113165 | UMSCC1 | 1 |
| 33454546 | 10.1016/j.ejmech.2021.113165 | Detroit 562 | 1 |
Data from ChEMBL 36 via Core Engine