Compound Detail
CHEMBL194888
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Basic Information
| ChEMBL ID | CHEMBL194888 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FMOKYAYPFVBPIG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
294.4
MW (Da)
4.53
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MDA-MB-231 CHEMBL400 | IC50 | 4.35 | 4.35 | 45100.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.12 | 4.12 | 76000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MDA-MB-231 | IC50 | = | 45100.0 | nM | 4.35 | Inhibitory concentration required for antiproliferative activity against human M... | 16250636 |
| HL-60 | IC50 | = | 76000.0 | nM | 4.12 | Antiproliferative activity against human HL60 cell line | 16686543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686543 | 10.1021/jm060253o | HL-60 | 2 |
| 16686543 | 10.1021/jm060253o | ATP-dependent translocase ABCB1 | 2 |
| 16686543 | 10.1021/jm060253o | Bcr/Abl fusion protein | 2 |
| 16250636 | 10.1021/jm050528k | MDA-MB-231 | 1 |
Data from ChEMBL 36 via Core Engine