Compound Detail
CHEMBL3259901
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3259901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTHVPWUPYFPHRB-NRFANRHFSA-N |
2
Targets
3
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
397.9
MW (Da)
6.11
ALogP
3
HBA
1
HBD
59.4
PSA (Ų)
0.58
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.89
Kd 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.89 | 7.39 | 13.0 | 2 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | Kd | 7.4 | 7.4 | 40.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 3.833 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 13.0 | nM | 7.89 | Antiviral activity against HIV1 HxB2 harboring integrase A124/T125 mutant by cel... | 24900852 |
| Human immunodeficiency virus type 1 integrase | Kd | = | 40.0 | nM | 7.4 | Binding affinity to HIV1 integrase by displacement assay | 24900852 |
| Human immunodeficiency virus 1 | EC50 | = | 130.0 | nM | 6.89 | Antiviral activity against HIV1 NL4.3 harboring integrase T124/A125 mutant by ce... | 24900852 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900852 | 10.1021/ml500002n | Human immunodeficiency virus 1 | 3 |
| 24900852 | 10.1021/ml500002n | Human immunodeficiency virus type 1 integrase | 1 |
| 24900852 | 10.1021/ml500002n | Liver microsome | 1 |
Data from ChEMBL 36 via Core Engine