Compound Detail
CHEMBL101415
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 | CHEMBL101415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WRNCLQKVQCFBJY-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
466.4
MW (Da)
2.08
ALogP
10
HBA
1
HBD
135.2
PSA (Ų)
0.32
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 4.9 | 4.9 | 12500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 12500.0 | nM | 4.9 | Compound was tested for anti-HIV-1 activity in CEM/0 cell line. | 9873653 |
| CCRF-CEM | EC50 | = | 12500.0 | nM | 4.9 | Compound was tested for anti-HIV-2 activity in CEM/0 cell line. | 9873653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873653 | 10.1016/s0960-894x(98)00530-7 | CCRF-CEM | 3 |
| 9873653 | 10.1016/s0960-894x(98)00530-7 | CEM-TK(-) | 1 |
Data from ChEMBL 36 via Core Engine