Compound Detail
CHEMBL362916
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Basic Information
| ChEMBL ID | CHEMBL362916 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBSMFAHVTVZEQN-UNOMPAQXSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
3.72
ALogP
5
HBA
1
HBD
68.5
PSA (Ų)
0.32
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
EC50 1 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.12 | 5.695 | 760.0 | 2 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.84 | 4.84 | 14300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 760.0 | nM | 6.12 | In vitro concentration required to inhibit the overall HIV-1 integrase strand tr... | 16250669 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 5400.0 | nM | 5.27 | In vitro concentration required to inhibit the HIV-1 integrase strand transfer | 16250669 |
| Human immunodeficiency virus 1 | EC50 | = | 14300.0 | nM | 4.84 | Effective concentration required to reduce HIV-1-induced cytopathic effect in MT... | 16250669 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus type 1 integrase | 3 |
| 16250669 | 10.1021/jm050549e | MT4 | 2 |
| 16250669 | 10.1021/jm050549e | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine