Compound Detail
CHEMBL1551640
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CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)C3[C@H](O)C12.Cl
Basic Information
| ChEMBL ID | CHEMBL1551640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WNPLITIXMFABAF-WOYDFFIASA-N |
| Parent Compound | CHEMBL1616905 |
| Active Moiety | CHEMBL1616905 |
6
Targets
14
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
460.4
MW (Da)
-1.24
ALogP
10
HBA
7
HBD
201.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 6.51
EC50 6 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Streptococcus sp. 'group A' CHEMBL612389 | EC50 | 7.06 | 7.06 | 88.0 | 1 |
| Streptokinase A CHEMBL1293228 | EC50 | 7.02 | 7.02 | 95.0 | 1 |
| Streptococcus CHEMBL612313 | EC50 | 6.56 | 6.56 | 277.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.51 | 5.6063 | 310.0 | 8 |
| Unchecked CHEMBL612545 | EC50 | 5.13 | 5.13 | 7378.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.69 | 4.69 | 20471.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.27 | 4.27 | 54142.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine