Compound Detail
CHEMBL331279
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Basic Information
| ChEMBL ID | CHEMBL331279 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DICBKNYXDPKLRB-NBFOKTCDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
0.61
ALogP
9
HBA
6
HBD
179.7
PSA (Ų)
0.34
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Folylpolyglutamate synthase, mitochondrial CHEMBL3171 | Ki | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Folylpolyglutamate synthase, mitochondrial | Ki | = | 200.0 | nM | 6.7 | Binding affinity as Competitive substrate in the presence of 50 gmM aminopterin ... | 10479284 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10479284 | 10.1021/jm9807205 | Folylpolyglutamate synthase, mitochondrial | 1 |
Data from ChEMBL 36 via Core Engine