Compound Detail
CHEMBL5861528
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COCCOCCOCCC(=O)NCCOCCOCCOCCN1CCN(c2cccc(-c3nc(NC(=N)N)nc4ccc(Cl)cc34)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5861528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFOMVCYZRPCUFT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
731.3
MW (Da)
2.61
ALogP
12
HBA
4
HBD
178.6
PSA (Ų)
0.06
QED
2
Ro5 Violations
24
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.87 | 6.87 | 135.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 | IC50 | = | 2.82 | nM | 8.55 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
| Unchecked | IC50 | = | 135.0 | nM | 6.87 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
Data from ChEMBL 36 via Core Engine