Compound Detail
CHEMBL3335603
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Basic Information
| ChEMBL ID | CHEMBL3335603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDEDSYACCNIRFX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
318.4
MW (Da)
1.77
ALogP
5
HBA
4
HBD
124.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Folate receptor alpha CHEMBL2121 | IC50 | 6.18 | 6.18 | 661.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Folate receptor alpha | IC50 | = | 661.0 | nM | 6.18 | Inhibition of FRalpha (unknown origin) expressed in Chinese hamster RT16 cells a... | 25234128 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25234128 | 10.1021/jm501113m | Folate receptor beta | 3 |
| 25234128 | 10.1021/jm501113m | Folate receptor alpha | 3 |
| 25234128 | 10.1021/jm501113m | KB | 2 |
| 25234128 | 10.1021/jm501113m | R2 | 2 |
| 25234128 | 10.1021/jm501113m | Proton-coupled folate transporter | 1 |
| 25234128 | 10.1021/jm501113m | Reduced folate transporter | 1 |
Data from ChEMBL 36 via Core Engine