Compound Detail
CHEMBL5787020
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Basic Information
| ChEMBL ID | CHEMBL5787020 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHUQBUPHRGKUGV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.2
MW (Da)
1.98
ALogP
7
HBA
4
HBD
138.7
PSA (Ų)
0.14
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 7.47 | 7.47 | 33.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 33.9 | nM | 7.47 | Enzyme Assay: HIS-tagged IDO1 protein was recombinantly expressed in Escherichia... | - |
Data from ChEMBL 36 via Core Engine