Compound Detail
CHEMBL78321
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL78321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OGNGGVGRGMBLMA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
235.2
MW (Da)
0.74
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 10000.0 | nM | 5.0 | Inhibition of human IDO1 expressed in Escherichia coli using L-tryptophan as sub... | 33341650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9240349 | 10.1021/jm9608422 | V79 | 3 |
| 9822546 | 10.1021/jm980328r | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 9667963 | 10.1021/jm970744w | NON-PROTEIN TARGET | 2 |
| 11563930 | 10.1021/jm010884c | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 23635904 | 10.1016/j.bmc.2013.03.071 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | Homo sapiens | 1 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | NCI-H460 | 1 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | NCI-H596 | 1 |
| 9871615 | 10.1016/s0960-894x(98)00069-9 | Unchecked | 1 |
| 9822546 | 10.1021/jm980328r | NCI-H460 | 1 |
| 9822546 | 10.1021/jm980328r | NCI-H596 | 1 |
| 9822546 | 10.1021/jm980328r | Unchecked | 1 |
| 33341650 | 10.1016/j.ejmech.2020.113071 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine