Compound Detail
CHEMBL4456429
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Basic Information
| ChEMBL ID | CHEMBL4456429 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAUUBTVVHHYSEN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
385.3
MW (Da)
3.45
ALogP
5
HBA
3
HBD
104.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase class 2 CHEMBL4523320 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase class 2 | Ki | = | 5500.0 | nM | 5.26 | Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherich... | 30711311 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30711311 | 10.1016/j.bmc.2019.01.023 | Fructose-bisphosphate aldolase class 2 | 1 |
Data from ChEMBL 36 via Core Engine