Compound Detail
CHEMBL1171666
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Basic Information
| ChEMBL ID | CHEMBL1171666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYAYAWOJZICVFE-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
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 7 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 7.34 | 7.34 | 46.0 | 1 |
| L1210 CHEMBL386 | IC50 | 7.08 | 7.08 | 84.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 7.07 | 7.07 | 85.0 | 1 |
| K562 CHEMBL385 | IC50 | 7.02 | 7.02 | 95.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 24.0 | nM | 7.62 | Antiproliferative activity against human HeLa cells after 2 days by coulter coun... | 20579891 |
| NON-PROTEIN TARGET | IC50 | = | 27.0 | nM | 7.57 | Antiproliferative activity against human Molt4/C8 cells after 2 days by coulter ... | 20579891 |
| CCRF-CEM | IC50 | = | 46.0 | nM | 7.34 | Antiproliferative activity against human CEM cells after 2 days by coulter count... | 20579891 |
| L1210 | IC50 | = | 84.0 | nM | 7.08 | Antiproliferative activity against mouse L1210 cells after 2 days by coulter cou... | 20579891 |
| FM3A | IC50 | = | 85.0 | nM | 7.07 | Antiproliferative activity against mouse FM3A cells after 2 days by coulter coun... | 20579891 |
| K562 | IC50 | = | 95.0 | nM | 7.02 | Antiproliferative activity against human K562 cells after 2 days by coulter coun... | 20579891 |
| Unchecked | IC50 | = | 580.0 | nM | 6.24 | Inhibition of bovine brain tubulin polymerization after 20 mins by turbidimetry ... | 20579891 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20579891 | 10.1016/j.bmc.2010.05.068 | K562 | 6 |
| 20579891 | 10.1016/j.bmc.2010.05.068 | Unchecked | 3 |
| 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