Compound Detail
CHEMBL489102
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Basic Information
| ChEMBL ID | CHEMBL489102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLVXYAGCEOJNQC-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
229.7
MW (Da)
2.69
ALogP
3
HBA
0
HBD
22.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 5.32 | 5.14 | 4800.0 | 2 |
| Histone acetyltransferase KAT2B CHEMBL5500 | IC50 | 5.27 | 5.27 | 5400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 4800.0 | nM | 5.32 | Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 6... | 25036789 |
| Histone acetyltransferase KAT2B | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of GST-fused recombinant HAT PCAF expressed in Escherichia coli by fi... | 19101154 |
| Indoleamine 2,3-dioxygenase 1 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of IDO1 (unknown origin) using L-tryptophan substrate incubated for 6... | 25036789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25036789 | 10.1016/j.ejmech.2014.06.078 | Indoleamine 2,3-dioxygenase 1 | 5 |
| 19101154 | 10.1016/j.bmc.2008.11.079 | Histone acetyltransferase KAT2B | 1 |
| 25036789 | 10.1016/j.ejmech.2014.06.078 | Tryptophan 2,3-dioxygenase | 1 |
| 25036789 | 10.1016/j.ejmech.2014.06.078 | ADMET | 1 |
| 25036789 | 10.1016/j.ejmech.2014.06.078 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine