Compound Detail
CHEMBL4539420
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Basic Information
| ChEMBL ID | CHEMBL4539420 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIKXCRJGEAZMGP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
407.5
MW (Da)
2.31
ALogP
7
HBA
1
HBD
112.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sepiapterin reductase CHEMBL3988583 | IC50 | 7.36 | 7.36 | 44.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sepiapterin reductase | IC50 | = | 44.0 | nM | 7.36 | Inhibition of SPR in human SK-N-BE(2) cells assessed as reduction in BH4 levels ... | - |
Data from ChEMBL 36 via Core Engine