Compound Detail
CHEMBL194735
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Basic Information
| ChEMBL ID | CHEMBL194735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIKCJNMFQABJAS-MFOYZWKCSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.8
MW (Da)
3.90
ALogP
4
HBA
2
HBD
79.5
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
EC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 8.0 | 7.0033 | 10.0 | 3 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.32 | 5.32 | 4780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 10.0 | nM | 8.0 | In vitro concentration required to inhibit the overall HIV-1 integrase strand tr... | 16250669 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 100.0 | nM | 7.0 | In vitro concentration required to inhibit the HIV-1 integrase strand transfer | 16250669 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 970.0 | nM | 6.01 | In vitro concentration required to inhibit the HIV-1 integrase 3' strand transfe... | 16250669 |
| Human immunodeficiency virus 1 | EC50 | = | 4780.0 | nM | 5.32 | 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