Compound Detail
CHEMBL144604
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Basic Information
| ChEMBL ID | CHEMBL144604 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAUYJJLEWDLTLK-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
3.49
ALogP
3
HBA
3
HBD
57.5
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Leukotriene C4 synthase CHEMBL1743183 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| RBL-2H3 CHEMBL614632 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 7.0 | nM | 8.15 | Tested for the ability to inhibit the replication of HIV-1 strain HTLV IIIB in h... | 11229762 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 70.0 | nM | 7.16 | Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNR... | 11229762 |
| Leukotriene C4 synthase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of LTC4 (unknown origin) | 36731273 |
| RBL-2H3 | IC50 | = | 16800.0 | nM | 4.78 | Inhibition of IgE receptor/FcERI mediated leukotriene release from rat RBL-2H3 c... | 12565956 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11229762 | 10.1016/s0960-894x(01)00011-7 | Human immunodeficiency virus 1 | 2 |
| 11229762 | 10.1016/s0960-894x(01)00011-7 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 12565956 | 10.1016/s0960-894x(02)00992-7 | RBL-2H3 | 1 |
| 11229762 | 10.1016/s0960-894x(01)00011-7 | ADMET | 1 |
| 36731273 | 10.1016/j.ejmech.2023.115151 | Leukotriene C4 synthase | 1 |
Data from ChEMBL 36 via Core Engine