Compound Detail
CHEMBL2397736
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O=C(Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c1)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])c1.[Na+].[Na+].[Na+].[Na+]
Basic Information
| ChEMBL ID | CHEMBL2397736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YMEWMQXTABLCPV-UHFFFAOYSA-J |
| Parent Compound | CHEMBL3040161 |
| Active Moiety | CHEMBL3040161 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
770.8
MW (Da)
2.82
ALogP
11
HBA
8
HBD
316.8
PSA (Ų)
0.11
QED
3
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 98.0 | nM | 7.01 | Inhibition of Plasmodium falciparum falcipain-2 peptidolytic activity using Z-Ph... | 23680445 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23680445 | 10.1016/j.bmc.2013.04.047 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine