Compound Detail
CHEMBL42533
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Basic Information
| ChEMBL ID | CHEMBL42533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEGOFRISRCEFAF-NKWVEPMBSA-N |
1
Targets
1
Activities
1
Assay Types
3
PK Parameters
7
Publications
0
Known Names
Molecular Properties
234.2
MW (Da)
-0.02
ALogP
7
HBA
2
HBD
93.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.37 | 5.37 | 4300.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | - | hr | - |
| T1/2 | 0.01 | hr | - |
| T1/2 | 0.01 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4300.0 | nM | 5.37 | In vitro inhibition of HIV-1 replication in human T-lymphocytic cells (CEM). | 10229629 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10229629 | 10.1021/jm981096z | ADMET | 3 |
| 10229629 | 10.1021/jm981096z | C3H/3T3 | 2 |
| 10229629 | 10.1021/jm981096z | No relevant target | 1 |
| 10229629 | 10.1021/jm981096z | Human immunodeficiency virus 1 | 1 |
| 10229629 | 10.1021/jm981096z | Human immunodeficiency virus 2 | 1 |
| 10229629 | 10.1021/jm981096z | CCRF-CEM | 1 |
| 10229629 | 10.1021/jm981096z | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine