Compound Detail
CHEMBL231421
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Basic Information
| ChEMBL ID | CHEMBL231421 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJTVNZCDUFZLMD-UHFFFAOYSA-M |
| Parent Compound | CHEMBL451226 |
| Active Moiety | CHEMBL451226 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
119.1
MW (Da)
-0.26
ALogP
3
HBA
1
HBD
80.4
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Isocitrate lyase CHEMBL1075264 | IC50 | 4.03 | 4.03 | 92400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Isocitrate lyase | IC50 | = | 92400.0 | nM | 4.03 | Inhibition of Magnaporthe grisea Guy 11 isocitrate lyase | 17317180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17317180 | 10.1016/j.bmcl.2007.02.027 | Pyricularia grisea | 2 |
| 17317180 | 10.1016/j.bmcl.2007.02.027 | Isocitrate lyase | 1 |
| 17317180 | 10.1016/j.bmcl.2007.02.027 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine