Compound Detail
CHEMBL329488
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Basic Information
| ChEMBL ID | CHEMBL329488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXENJMKHVHUOLQ-DYVSEJHDSA-M |
| Parent Compound | CHEMBL37869 |
| Active Moiety | CHEMBL37869 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
339.3
MW (Da)
2.93
ALogP
6
HBA
5
HBD
131.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 integrase | IC50 | = | 260.0 | nM | 6.58 | HIV integrase inhibitory potency was evaluated as IC50 on 3' processing of targe... | 9667973 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9667973 | 10.1021/jm980043e | Human immunodeficiency virus type 1 integrase | 2 |
| 18316517 | 10.1128/aac.01361-07 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine