Compound Detail
CHEMBL1986418
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Basic Information
| ChEMBL ID | CHEMBL1986418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QZBAXRCEGXLXOR-DHRITJCHSA-N |
9
Targets
20
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
4.32
ALogP
6
HBA
3
HBD
99.1
PSA (Ų)
0.32
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 15 meas. best 6.75
IC50 5 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.75 | 5.9271 | 178.0 | 7 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 6.42 | 5.955 | 382.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Phospholipase A2 CHEMBL4426 | IC50 | 5.82 | 5.715 | 1510.0 | 2 |
| Streptokinase A CHEMBL1293228 | EC50 | 5.81 | 5.535 | 1554.0 | 2 |
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 5.7 | 5.7 | 1978.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 5.61 | 5.61 | 2451.0 | 1 |
| Cysteine protease ATG4B CHEMBL1741221 | IC50 | 5.6 | 5.435 | 2530.0 | 2 |
| Streptococcus CHEMBL612313 | EC50 | 5.23 | 5.23 | 5844.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.31 | 4.31 | 48713.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
Data from ChEMBL 36 via Core Engine