Compound Detail
CHEMBL5220365
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Basic Information
| ChEMBL ID | CHEMBL5220365 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NLSSYKTUFZEOHH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
529.4
MW (Da)
1.72
ALogP
10
HBA
5
HBD
171.2
PSA (Ų)
0.09
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | EC50 | 6.08 | 6.08 | 835.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | EC50 | = | 835.0 | nM | 6.08 | Antiproliferative activity against human HeLa cells | 35952367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35952367 | 10.1021/acs.jmedchem.2c00263 | Indoleamine 2,3-dioxygenase 2 | 3 |
| 35952367 | 10.1021/acs.jmedchem.2c00263 | Indoleamine 2,3-dioxygenase 1 | 2 |
| 35952367 | 10.1021/acs.jmedchem.2c00263 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine