Compound Detail
CHEMBL60314
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Basic Information
| ChEMBL ID | CHEMBL60314 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPXHDJHUEXAQRF-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
346.2
MW (Da)
4.35
ALogP
5
HBA
0
HBD
55.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.4
IC50 2 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| MT4 CHEMBL388 | EC50 | 7.89 | 7.89 | 13.0 | 2 |
| Human immunodeficiency virus type 1 protease CHEMBL243 | IC50 | 6.1 | 5.67 | 800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | EC50 | = | 4.0 | nM | 8.4 | Compound was evaluated for the inhibition of HIV-1 induced CPE (HTLV-III B strai... | 7540208 |
| MT4 | EC50 | = | 13.0 | nM | 7.89 | Tested for 50% effective concentration based on the inhibition of HIV-I induced ... | - |
| MT4 | EC50 | = | 13.0 | nM | 7.89 | Compound was evaluated for the inhibition of HIV-1 induced CPE (HTLV-III B strai... | 7540208 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 800.0 | nM | 6.1 | Inhibitory effect on HIV-1 RT activity using template primer,poly (rC)-oligo (dG... | 7540208 |
| Human immunodeficiency virus type 1 protease | IC50 | = | 5800.0 | nM | 5.24 | 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 | 5 |
| 7540208 | 10.1021/jm00012a002 | Homo sapiens | 3 |
| - | 10.1016/0960-894X(96)00355-1 | MT4 | 2 |
| 7540208 | 10.1021/jm00012a002 | Human immunodeficiency virus type 1 protease | 2 |
| - | 10.1016/0960-894X(96)00355-1 | Unchecked | 1 |
| 7540208 | 10.1021/jm00012a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine