Compound Detail
CHEMBL3354302
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Basic Information
| ChEMBL ID | CHEMBL3354302 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMLZOBPIONVHTB-AATRIKPKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.97
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HT-29 CHEMBL384 | IC50 | 4.58 | 4.58 | 26200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HT-29 | IC50 | = | 26200.0 | nM | 4.58 | Antiproliferative activity against human HT-29 cells by MTT assay | 25455486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27426305 | 10.1016/j.bmcl.2016.07.018 | ADMET | 4 |
| 27426305 | 10.1016/j.bmcl.2016.07.018 | Thymocyte | 4 |
| 28576617 | 10.1016/j.bmcl.2017.05.025 | Transient receptor potential cation channel subfamily A member 1 | 2 |
| 25455486 | 10.1016/j.bmcl.2014.10.009 | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine