Compound Detail
CHEMBL3745836
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Basic Information
| ChEMBL ID | CHEMBL3745836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZVCWRAFPVCGPA-BPGUCPLFSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.4
MW (Da)
3.25
ALogP
5
HBA
1
HBD
75.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 4.68 | 4.6733 | 21000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of IDO (unknown origin) | 25970480 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of IDO1 (unknown origin) | 32055299 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of IDO1 (unknown origin) | 33341650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25970480 | 10.1021/acs.jmedchem.5b00326 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 32055299 | 10.1039/C9MD00208A | Indoleamine 2,3-dioxygenase 1 | 1 |
| 33341650 | 10.1016/j.ejmech.2020.113071 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine