Compound Detail
CHEMBL2062928
TALARODERXINE A Enter ChEMBL ID:
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CCC[C@H]1Cc2cc3c(-c4c(O)cc(O)c5c(O)c6c(cc45)C[C@H](CCC)OC6=O)c(O)cc(O)c3c(O)c2C(=O)O1
Basic Information
| ChEMBL ID | CHEMBL2062928 |
| Name | TALARODERXINE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFWLAZBEASXXJJ-HOTGVXAUSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
574.6
MW (Da)
5.66
ALogP
10
HBA
6
HBD
174.0
PSA (Ų)
0.16
QED
3
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Botulinum neurotoxin type A CHEMBL5344 | IC50 | 5.43 | 5.215 | 3700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Botulinum neurotoxin type A | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTR... | 24900483 |
| Botulinum neurotoxin type A | IC50 | = | 10100.0 | nM | 5.0 | Inhibition of Clostridium botulinum Hall BoNT/A protease activity using Ac-SNKTR... | 24900483 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900483 | 10.1021/ml200312s | Botulinum neurotoxin type A | 10 |
Data from ChEMBL 36 via Core Engine