Compound Detail
CHEMBL2058057
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Basic Information
| ChEMBL ID | CHEMBL2058057 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRCCYFAMXZIJSC-UHFFFAOYSA-N |
11
Targets
16
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
301.1
MW (Da)
3.35
ALogP
2
HBA
1
HBD
45.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 15 meas. best 8.52
Ki 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 1B1 CHEMBL4878 | IC50 | 8.52 | 7.78 | 3.0 | 3 |
| Poly [ADP-ribose] polymerase tankyrase-1 CHEMBL6164 | IC50 | 7.96 | 7.305 | 11.0 | 2 |
| Poly [ADP-ribose] polymerase tankyrase-2 CHEMBL6154 | IC50 | 7.0 | 7.0 | 101.0 | 1 |
| Cytochrome P450 1A1 CHEMBL2231 | IC50 | 5.82 | 5.455 | 1500.0 | 2 |
| Leishmania infantum CHEMBL612848 | IC50 | 5.16 | 5.16 | 6890.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 4.97 | 4.97 | 10600.0 | 1 |
| COLO 205 CHEMBL614561 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
| Trypanosoma cruzi CHEMBL368 | IC50 | 4.7 | 4.7 | 19780.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Toxoplasma gondii CHEMBL612888 | IC50 | 4.04 | 4.04 | 92000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine