Compound Detail
CHEMBL1671912
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Basic Information
| ChEMBL ID | CHEMBL1671912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRMLPGMVUJUZOE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
394.5
MW (Da)
3.91
ALogP
6
HBA
2
HBD
93.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.57 | 4.57 | 26900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 26900.0 | nM | 4.57 | Growth inhibition in human HL60 cells after 72 hrs by trypan blue assay | 21216603 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21216603 | 10.1016/j.bmc.2010.12.037 | HL-60 | 1 |
| 21216603 | 10.1016/j.bmc.2010.12.037 | A-431 | 1 |
| 21216603 | 10.1016/j.bmc.2010.12.037 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine