Compound Detail
CHEMBL1416184
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Basic Information
| ChEMBL ID | CHEMBL1416184 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPYQSLDCNMIKJX-UHFFFAOYSA-N |
11
Targets
12
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.30
ALogP
10
HBA
2
HBD
127.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 6.14
IC50 6 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein RecA CHEMBL1741171 | EC50 | 6.14 | 6.14 | 722.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.72 | 5.72 | 1898.0 | 1 |
| CHO CHEMBL613853 | IC50 | 5.71 | 5.71 | 1941.0 | 1 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.56 | 5.56 | 2730.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.53 | 5.53 | 2946.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 5.47 | 5.47 | 3390.0 | 1 |
| Toll-like receptor 9 CHEMBL5804 | IC50 | 5.37 | 5.37 | 4264.0 | 1 |
| Beta Lactamase CHEMBL1293246 | IC50 | 5.04 | 5.04 | 9167.0 | 1 |
| Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase CHEMBL1741212 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.97 | 4.96 | 10716.0 | 2 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 4.96 | 4.96 | 11050.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine