Compound Detail
CHEMBL489902
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Basic Information
| ChEMBL ID | CHEMBL489902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQTPKKGWZCMLER-OBGWFSINSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
473.6
MW (Da)
5.50
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COLO 205 CHEMBL614561 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COLO 205 | IC50 | = | 5100.0 | nM | 5.29 | Antiproliferative activity against human COLO205 cells after 96 hrs by celltiter... | 19181524 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19181524 | 10.1016/j.bmcl.2009.01.041 | Histone deacetylase 1 | 1 |
| 19181524 | 10.1016/j.bmcl.2009.01.041 | COLO 205 | 1 |
Data from ChEMBL 36 via Core Engine