Compound Detail
CHEMBL1969772
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Basic Information
| ChEMBL ID | CHEMBL1969772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIVANWVLNGMSOX-LSDHHAIUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
304.2
MW (Da)
1.19
ALogP
7
HBA
5
HBD
127.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 4.79 | 4.79 | 16300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 16300.0 | nM | 4.79 | Inhibition of IDO1 in human HeLa cells | 32247733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4296183 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4296183 | Pseudomonas aeruginosa | 1 |
| - | 10.6019/CHEMBL4296183 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4296183 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4296183 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4296183 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4296183 | Acinetobacter baumannii | 1 |
| 32247733 | 10.1016/j.bmcl.2020.127159 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine