Compound Detail
CHEMBL1204110
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Basic Information
| ChEMBL ID | CHEMBL1204110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRLARSMKLRZEQG-UHFFFAOYSA-N |
| Parent Compound | CHEMBL17760 |
| Active Moiety | CHEMBL17760 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
503.8
MW (Da)
-0.19
ALogP
9
HBA
6
HBD
91.5
PSA (Ų)
0.33
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.5 | 7.5 | 31.6 | 1 |
| Human immunodeficiency virus 2 CHEMBL380 | EC50 | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 31.6 | nM | 7.5 | Effective concentration against HIV-1(IIIB) replication in MT-4 cells | 8568797 |
| Human immunodeficiency virus 2 | EC50 | = | 71.0 | nM | 7.15 | Effective concentration against HIV-2(ROD) replication in MT-4 cells | 8568797 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568797 | 10.1021/jm950584t | Human immunodeficiency virus 1 | 1 |
| 8568797 | 10.1021/jm950584t | Human immunodeficiency virus 2 | 1 |
| 8568797 | 10.1021/jm950584t | MT4 | 1 |
Data from ChEMBL 36 via Core Engine