Compound Detail
CHEMBL1613004
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Basic Information
| ChEMBL ID | CHEMBL1613004 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PYPBLOIYODUALV-UHFFFAOYSA-N |
14
Targets
17
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
2.07
ALogP
5
HBA
2
HBD
58.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 12 meas. best 5.83
EC50 5 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.83 | 5.2667 | 1478.0 | 3 |
| Aspartyl aminopeptidase CHEMBL1293263 | IC50 | 5.81 | 5.81 | 1550.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.75 | 5.75 | 1768.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.65 | 5.65 | 2260.3 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 5.44 | 5.44 | 3632.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 4.97 | 4.97 | 10720.7 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.94 | 4.635 | 11500.0 | 2 |
| DNA dC->dU-editing enzyme APOBEC-3G CHEMBL1741217 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
| Intestinal-type alkaline phosphatase CHEMBL5573 | EC50 | 4.66 | 4.66 | 22100.0 | 1 |
| Glucose-6-phosphate 1-dehydrogenase CHEMBL5347 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 4.37 | 4.37 | 42300.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.25 | 4.25 | 55600.0 | 1 |
| Alkaline phosphatase, tissue-nonspecific isozyme CHEMBL5979 | EC50 | 4.15 | 4.15 | 70900.0 | 1 |
| Nuclear receptor subfamily 4immunitygroup A member 1 CHEMBL1293229 | IC50 | 4.1 | 4.1 | 79051.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine