Compound Detail
CHEMBL4467206
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Basic Information
| ChEMBL ID | CHEMBL4467206 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGACXVRLDHEXKY-LRHZJYQRSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
2.89
ALogP
4
HBA
2
HBD
58.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.26 | 6.04 | 550.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | - | - | Not specified |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 550.0 | nM | 6.26 | Enzymatic IDO Assay: The IC50 values for each compound were determined by testin... | - |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of purified human IDO1 using L-tryptophan as substrate preincubated f... | 31264862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | ADMET | 2 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Cytochrome P450 3A4 | 1 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Cytochrome P450 2D6 | 1 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Cytochrome P450 1A2 | 1 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Cytochrome P450 2B6 | 1 |
| 31264862 | 10.1021/acs.jmedchem.9b00662 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine