Compound Detail
CHEMBL5611971
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Basic Information
| ChEMBL ID | CHEMBL5611971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKODLLRZJFKLSI-YVEFUNNKSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
394.3
MW (Da)
3.30
ALogP
5
HBA
0
HBD
47.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Naegleria fowleri CHEMBL3301413 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.817 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Naegleria fowleri | EC50 | = | 6.0 | nM | 8.22 | Anti-ameobic activity against Naegleria fowleri Nf69 (ATCC 30215) trophozoites a... | 39402986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39402986 | 10.1021/acs.jmedchem.4c01630 | ADMET | 2 |
| 39402986 | 10.1021/acs.jmedchem.4c01630 | No relevant target | 1 |
| 39402986 | 10.1021/acs.jmedchem.4c01630 | Naegleria fowleri | 1 |
| 39402986 | 10.1021/acs.jmedchem.4c01630 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine