Compound Detail
CHEMBL601007
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Basic Information
| ChEMBL ID | CHEMBL601007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMBYMAOAEYOVJD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
336.8
MW (Da)
2.84
ALogP
4
HBA
1
HBD
71.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.31
EC50 1 meas. best 8.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 8.01 | 8.01 | 9.7 | 1 |
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 7.31 | 6.865 | 49.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9.7 | nM | 8.01 | Antiviral activity against HIV1 3B infected in human MT4 cells assessed inhibiti... | 20097079 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 49.0 | nM | 7.31 | Inhibition of RNA-dependent DNA polymerase activity of HIV1 reverse transcriptas... | 20097079 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 380.0 | nM | 6.42 | Inhibition of HIV1 reverse transcriptase L100I mutant by RNA-dependent DNA polym... | 20097079 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20097079 | 10.1016/j.bmc.2009.12.059 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 20097079 | 10.1016/j.bmc.2009.12.059 | Human immunodeficiency virus 1 | 1 |
| 20097079 | 10.1016/j.bmc.2009.12.059 | MT4 | 1 |
| 20097079 | 10.1016/j.bmc.2009.12.059 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine