Compound Detail
CHEMBL1171665
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Basic Information
| ChEMBL ID | CHEMBL1171665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMWRUNBYCIEVMP-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
358.4
MW (Da)
4.17
ALogP
6
HBA
0
HBD
54.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 550.0 | nM | 6.26 | Antiproliferative activity against human Molt4/C8 cells after 2 days by coulter ... | 20579891 |
| HeLa | IC50 | = | 590.0 | nM | 6.23 | Antiproliferative activity against human HeLa cells after 2 days by coulter coun... | 20579891 |
| L1210 | IC50 | = | 1200.0 | nM | 5.92 | Antiproliferative activity against mouse L1210 cells after 2 days by coulter cou... | 20579891 |
| FM3A | IC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against mouse FM3A cells after 2 days by coulter coun... | 20579891 |
| CCRF-CEM | IC50 | = | 1700.0 | nM | 5.77 | Antiproliferative activity against human CEM cells after 2 days by coulter count... | 20579891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20579891 | 10.1016/j.bmc.2010.05.068 | L1210 | 1 |
| 20579891 | 10.1016/j.bmc.2010.05.068 | FM3A | 1 |
| 20579891 | 10.1016/j.bmc.2010.05.068 | NON-PROTEIN TARGET | 1 |
| 20579891 | 10.1016/j.bmc.2010.05.068 | CCRF-CEM | 1 |
| 20579891 | 10.1016/j.bmc.2010.05.068 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine