Compound Detail
CHEMBL5290663
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Basic Information
| ChEMBL ID | CHEMBL5290663 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWBTWIXIIRZCBP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
4.67
ALogP
5
HBA
1
HBD
55.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania mexicana CHEMBL612880 | EC50 | 6.68 | 6.68 | 210.0 | 1 |
| J774.A1 CHEMBL614040 | EC50 | 5.36 | 5.36 | 4400.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 170.0 | mL.min-1.kg-1 | Mus musculus |
| T1/2 | 0.31 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Leishmania mexicana | EC50 | = | 210.0 | nM | 6.68 | Antileishmanial activity against Leishmania mexicana promastigote infected in mo... | 34355566 |
| J774.A1 | EC50 | = | 4400.0 | nM | 5.36 | Cytotoxicity against mouse J774A.1 cells measured after 1 hr in dark by SYBR Gre... | 34355566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34355566 | 10.1021/acs.jmedchem.1c00813 | ADMET | 3 |
| 34355566 | 10.1021/acs.jmedchem.1c00813 | Leishmania mexicana | 1 |
| 34355566 | 10.1021/acs.jmedchem.1c00813 | J774.A1 | 1 |
Data from ChEMBL 36 via Core Engine