Compound Detail
CHEMBL101460
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Basic Information
| ChEMBL ID | CHEMBL101460 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYDCSBIODGKAMY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
4
PK Parameters
4
Publications
0
Known Names
Molecular Properties
395.3
MW (Da)
3.59
ALogP
6
HBA
1
HBD
103.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 310.0 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 556.58 | nM | Rattus norvegicus |
| F | 18.0 | % | Rattus norvegicus |
| T1/2 | 1.7 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of concanavalin A (con A)-induced proliferation of human peripheral b... | 10956206 |
| Homo sapiens | IC50 | = | 440.0 | nM | 6.36 | Inhibition of interleukin-2 (IL-2) synthesis in human whole blood stimulated by ... | 10956206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956206 | 10.1021/jm990615a | ADMET | 2 |
| 10956206 | 10.1021/jm990615a | Rattus norvegicus | 2 |
| 10956206 | 10.1021/jm990615a | Human immunodeficiency virus 1 | 1 |
| 10956206 | 10.1021/jm990615a | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine