Compound Detail
CHEMBL4072215
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Basic Information
| ChEMBL ID | CHEMBL4072215 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NULNAKJYFWFQIT-CJLVFECKSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
4.08
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.9
IC50 1 meas. best 5.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.01 | 5.01 | 9784.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | EC50 | 4.9 | 4.9 | 12520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 9784.0 | nM | 5.01 | Inhibition of recombinant human His-tagged IDO1 expressed in Escherichia coli BL... | 28526475 |
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 12520.0 | nM | 4.9 | Inhibition of IDO1 in IFN-gamma stimulated human HeLa cells using L-tryptophan a... | 28526475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28526475 | 10.1016/j.bmc.2017.05.017 | Indoleamine 2,3-dioxygenase 1 | 3 |
Data from ChEMBL 36 via Core Engine