Compound Detail
CHEMBL491397
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Basic Information
| ChEMBL ID | CHEMBL491397 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MZRFLNQUYWJRAD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
3.76
ALogP
6
HBA
0
HBD
61.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2700.0 | nM | 5.57 | Antiproliferative activity against human Molt4/C8 cells after 2 days | 18755591 |
| FM3A | IC50 | = | 8800.0 | nM | 5.06 | Antiproliferative activity against mouse FM3A cells after 2 days | 18755591 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18755591 | 10.1016/j.bmc.2008.08.029 | L1210 | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | FM3A | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | NON-PROTEIN TARGET | 1 |
| 18755591 | 10.1016/j.bmc.2008.08.029 | CCRF-CEM | 1 |
Data from ChEMBL 36 via Core Engine