Compound Detail
CHEMBL149100
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Basic Information
| ChEMBL ID | CHEMBL149100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIJMMWOYIWBAFY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
3.39
ALogP
3
HBA
2
HBD
37.3
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 70.0 | nM | 7.16 | 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 | = | 3900.0 | nM | 5.41 | Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNR... | 11229762 |
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 |
| 11229762 | 10.1016/s0960-894x(01)00011-7 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine