Compound Detail
CHEMBL62905
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Basic Information
| ChEMBL ID | CHEMBL62905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIMFRELFPMFAIL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
4.74
ALogP
5
HBA
0
HBD
55.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.77
EC50 1 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MT4 CHEMBL388 | EC50 | 7.41 | 7.41 | 39.0 | 1 |
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 5.77 | 5.345 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MT4 | EC50 | = | 39.0 | nM | 7.41 | Compound was evaluated for the inhibition of HIV-1 induced CPE (HTLV-III B strai... | 7540208 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 1700.0 | nM | 5.77 | Inhibitory effect on HIV-1 RT activity using template primer,poly (rA)-oligo (dT... | 7540208 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 12000.0 | nM | 4.92 | Inhibitory effect on HIV-1 RT activity using template primer,poly (rA)-oligo (dT... | 7540208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7540208 | 10.1021/jm00012a002 | MT4 | 2 |
| 7540208 | 10.1021/jm00012a002 | Human immunodeficiency virus type 1 protease | 2 |
| 7540208 | 10.1021/jm00012a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine