Compound Detail
CHEMBL1335068
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Basic Information
| ChEMBL ID | CHEMBL1335068 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMTGLCZMWMPEAN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
381.4
MW (Da)
1.46
ALogP
7
HBA
1
HBD
132.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma brucei CHEMBL612849 | EC50 | 6.34 | 6.34 | 460.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 6.01 | 6.01 | 980.0 | 1 |
| Leishmania amazonensis CHEMBL612877 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma brucei | EC50 | = | 460.0 | nM | 6.34 | Antitrypanosomal activity against Trypanosoma brucei 90-13 bloodstream forms aft... | 28119024 |
| Unchecked | EC50 | = | 980.0 | nM | 6.01 | PUBCHEM_BIOASSAY: Dose response confirmation of small molecule activators of the... | - |
| Leishmania amazonensis | EC50 | = | 3000.0 | nM | 5.52 | Anti-parasitic activity against Leishmania amazonensis promastigotes after 44 hr... | 28119024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28119024 | 10.1016/j.bmcl.2017.01.043 | Unchecked | 2 |
| 25530830 | 10.1021/ml5003234 | DNA damage-inducible transcript 3 protein | 1 |
| 25530830 | 10.1021/ml5003234 | X-box-binding protein 1 | 1 |
| 28119024 | 10.1016/j.bmcl.2017.01.043 | IMR-90 | 1 |
| 28119024 | 10.1016/j.bmcl.2017.01.043 | Trypanosoma brucei | 1 |
| 28119024 | 10.1016/j.bmcl.2017.01.043 | Leishmania amazonensis | 1 |
Data from ChEMBL 36 via Core Engine