Compound Detail
CHEMBL4100019
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Basic Information
| ChEMBL ID | CHEMBL4100019 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWCJWCCNYZGZEW-NSHDSACASA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
361.3
MW (Da)
3.25
ALogP
4
HBA
1
HBD
62.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Trypanosoma cruzi CHEMBL368 | EC50 | 5.6 | 5.6 | 2530.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.081 | - | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Trypanosoma cruzi | EC50 | = | 2530.0 | nM | 5.6 | Antitrypanosomal activity against Trypanosoma cruzi Tulahuen amastigotes infecte... | 28740614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28740614 | 10.1021/acsmedchemlett.7b00202 | No relevant target | 3 |
| 28740614 | 10.1021/acsmedchemlett.7b00202 | Trypanosoma cruzi | 2 |
| 28740614 | 10.1021/acsmedchemlett.7b00202 | Trypanosoma brucei brucei | 2 |
| 28740614 | 10.1021/acsmedchemlett.7b00202 | Plasma | 2 |
| 28740614 | 10.1021/acsmedchemlett.7b00202 | Unchecked | 1 |
| 28740614 | 10.1021/acsmedchemlett.7b00202 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine