Compound Detail
CHEMBL587943
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Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)[nH]n2)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL587943 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJZRRHCJSUWOPI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
3.76
ALogP
5
HBA
3
HBD
115.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.72 | 4.72 | 19200.0 | 1 |
| Ras-related C3 botulinum toxin substrate 1 CHEMBL6094 | IC50 | 4.55 | 4.55 | 27900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 19200.0 | nM | 4.72 | Inhibition of PDGF-BB-induced Rac activation in human SMC assessed as intracellu... | - |
| Ras-related C3 botulinum toxin substrate 1 | IC50 | = | 27900.0 | nM | 4.55 | Inhibition of Rac1-dependent cell adhesion in human SMC after 4 hrs by toluidine... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20485427 | 10.1038/nature09107 | Plasmodium falciparum | 4 |
| - | 10.1039/C2MD20328F | Ras-related C3 botulinum toxin substrate 1 | 2 |
| - | 10.1039/C2MD20328F | Unchecked | 2 |
| 20485427 | 10.1038/nature09107 | HepG2 | 1 |
| 20485427 | 10.1038/nature09107 | Unchecked | 1 |
| - | 10.6019/CHEMBL3433997 | Solute carrier family 2, facilitated glucose transporter member 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Hexose transporter 1 | 1 |
| - | 10.6019/CHEMBL3433997 | Glucose transporter | 1 |
Data from ChEMBL 36 via Core Engine