Compound Detail
CHEMBL5899780
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CCCOCNC(=O)NCCCCNC(=O)NCCOCCOCCNC(=O)NCCOCCOCCN1CCN(c2cccc(-c3nc(N=C(N)N)nc4ccc(Cl)cc34)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5899780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SZJPDSLJJGYQGV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
916.5
MW (Da)
2.11
ALogP
13
HBA
8
HBD
266.2
PSA (Ų)
0.02
QED
3
Ro5 Violations
30
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 CHEMBL3273 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.6 | 7.6 | 25.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium/hydrogen exchanger 3 | IC50 | = | 7.94 | nM | 8.1 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
| Unchecked | IC50 | = | 25.1 | nM | 7.6 | Cell-based activity under Prompt Conditions: Cell-based activity under Prompt Co... | - |
Data from ChEMBL 36 via Core Engine