Compound Detail
CHEMBL77652
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 | CHEMBL77652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBSURXIIEJERBJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
1
PK Parameters
7
Publications
0
Known Names
Molecular Properties
474.4
MW (Da)
2.22
ALogP
11
HBA
2
HBD
152.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | EC50 | 8.26 | 7.995 | 5.5 | 4 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 301.0 | hr | Sus scrofa |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | EC50 | = | 5.5 | nM | 8.26 | Compound was evaluated for its effective concentration (potency) to inhibit the ... | 10498207 |
| CCRF-CEM | EC50 | = | 6.0 | nM | 8.22 | Compound was evaluated for antiviral activity against HIV-1 (IIIB) infected CEM ... | - |
| CCRF-CEM | EC50 | = | 18.0 | nM | 7.75 | Compound was evaluated for its effective concentration (potency) to inhibit the ... | 10498207 |
| CCRF-CEM | EC50 | = | 18.0 | nM | 7.75 | Compound was evaluated for antiviral activity against HIV-2 (ROD) infected CEM c... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10498207 | 10.1016/s0960-894x(99)00416-3 | CCRF-CEM | 3 |
| - | 10.1016/0960-894X(96)00433-7 | CCRF-CEM | 3 |
| 10498207 | 10.1016/s0960-894x(99)00416-3 | Unchecked | 2 |
| - | 10.1016/0960-894X(96)00433-7 | NON-PROTEIN TARGET | 2 |
| 10498207 | 10.1016/s0960-894x(99)00416-3 | No relevant target | 1 |
| 10498207 | 10.1016/s0960-894x(99)00416-3 | ADMET | 1 |
| - | 10.1016/0960-894X(96)00433-7 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine