Compound Detail
CHEMBL2385355
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Basic Information
| ChEMBL ID | CHEMBL2385355 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTLVFDXQJMUZCL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
-0.18
ALogP
6
HBA
1
HBD
81.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of human IDO1 expressed in Escherichia coli using L-tryptophan as sub... | 33341650 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23635904 | 10.1016/j.bmc.2013.03.071 | NAD(P)H dehydrogenase [quinone] 1 | 2 |
| 33341650 | 10.1016/j.ejmech.2020.113071 | Indoleamine 2,3-dioxygenase 1 | 1 |
Data from ChEMBL 36 via Core Engine