Compound Detail
CHEMBL432537
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Basic Information
| ChEMBL ID | CHEMBL432537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFMQJYHLIUACCG-UHFFFAOYSA-N |
12
Targets
29
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
293.2
MW (Da)
1.84
ALogP
6
HBA
0
HBD
95.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 22 meas. best 10.74
Ki 5 meas. best 7.27
EC50 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | IC50 | 10.74 | 7.594 | 0.0 | 5 |
| Tryptophan 2,3-dioxygenase CHEMBL2140 | IC50 | 7.4 | 7.2033 | 40.0 | 3 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | Ki | 7.27 | 7.27 | 54.0 | 2 |
| Plasmodium falciparum CHEMBL364 | EC50 | 7.0 | 6.915 | 100.5 | 2 |
| Tryptophan 2,3-dioxygenase CHEMBL2140 | Ki | 6.67 | 6.67 | 215.0 | 1 |
| HeLa CHEMBL399 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
| Indoleamine 2,3-dioxygenase 2 CHEMBL3627587 | IC50 | 6.35 | 5.986 | 446.0 | 5 |
| B16-F10 CHEMBL612656 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| LX-2 CHEMBL5465457 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
| Indoleamine 2,3-dioxygenase 2 CHEMBL3627587 | Ki | 6.01 | 6.01 | 970.0 | 2 |
| Hep 3B2 CHEMBL4296437 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.16 | 5.16 | 6880.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.1 | 5.1 | 7890.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.09 | 5.09 | 8050.0 | 1 |
| PC-3 CHEMBL390 | IC50 | 4.93 | 4.93 | 11830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine