Compound Detail
CHEMBL1424907
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Basic Information
| ChEMBL ID | CHEMBL1424907 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCGRCMUZDPSAQZ-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
1.54
ALogP
5
HBA
3
HBD
113.4
PSA (Ų)
0.44
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.42
Ki 1 meas. best 5.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase class 2 CHEMBL4523320 | Ki | 5.73 | 5.73 | 1870.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.42 | 5.42 | 3850.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.24 | 5.24 | 5817.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.06 | 5.06 | 8752.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fructose-bisphosphate aldolase class 2 | Ki | = | 1870.0 | nM | 5.73 | Inhibition of recombinant Synechocystis sp. PCC 6803 FBA2 expressed in Escherich... | 30711311 |
| Streptococcus sp. 'group A' | EC50 | = | 3850.0 | nM | 5.42 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptokinase A | EC50 | = | 5817.0 | nM | 5.24 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... | - |
| Streptococcus | EC50 | = | 8752.0 | nM | 5.06 | PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30711311 | 10.1016/j.bmc.2019.01.023 | Synechocystis sp. PCC 6803 | 1 |
| 30711311 | 10.1016/j.bmc.2019.01.023 | Fructose-bisphosphate aldolase class 2 | 1 |
Data from ChEMBL 36 via Core Engine