Compound Detail
CHEMBL2419310
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Basic Information
| ChEMBL ID | CHEMBL2419310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNQDHHRMPVESSY-KGVSQERTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.4
MW (Da)
4.84
ALogP
4
HBA
2
HBD
66.6
PSA (Ų)
0.27
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 4.72 | 4.72 | 18900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 18900.0 | nM | 4.72 | Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay | 23961991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23961991 | 10.1021/np400284z | A-375 | 1 |
| 23961991 | 10.1021/np400284z | SW480 | 1 |
| 23961991 | 10.1021/np400284z | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine