Compound Detail
CHEMBL434291
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Basic Information
| ChEMBL ID | CHEMBL434291 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKWQCOUBIJFQBH-DFPPEFKWSA-M |
| Parent Compound | CHEMBL352898 |
| Active Moiety | CHEMBL352898 |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
3.71
ALogP
3
HBA
2
HBD
70.7
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| REF CHEMBL614853 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| REF | IC50 | = | 90000.0 | nM | 4.05 | Anti-proliferative activity was evaluated by its ability to inhibit proliferatio... | 11844707 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844707 | 10.1016/s0960-894x(01)00839-3 | MDCK | 2 |
| 11844707 | 10.1016/s0960-894x(01)00839-3 | NIH3T3 | 1 |
| 11844707 | 10.1016/s0960-894x(01)00839-3 | REF | 1 |
| 11844707 | 10.1016/s0960-894x(01)00839-3 | SW480 | 1 |
| 11844707 | 10.1016/s0960-894x(01)00839-3 | Cyclooxygenase | 1 |
| 11844707 | 10.1016/s0960-894x(01)00839-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine