Compound Detail
CHEMBL466773
SOULATTROLIDE Enter ChEMBL ID:
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C[C@H]1[C@H](C)Oc2c3c(c4c(-c5ccccc5)cc(=O)oc4c2[C@H]1O)OC(C)(C)C=C3
Basic Information
| ChEMBL ID | CHEMBL466773 |
| Name | SOULATTROLIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BXENDTPSKAICGV-RXSFTSLZSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
5.09
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.57
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | IC50 | 6.47 | 6.305 | 340.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 4.16 | 4.16 | 69500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 340.0 | nM | 6.47 | Inhibition of DNA dependent DNA polymerase activity of HIV1 recombinant reverse ... | 8864237 |
| Human immunodeficiency virus type 1 reverse transcriptase | IC50 | = | 730.0 | nM | 6.14 | Inhibition of RNA dependent DNA polymerase activity of HIV1 recombinant reverse ... | 8864237 |
| Unchecked | IC50 | = | 69500.0 | nM | 4.16 | Inhibition of Escherichia coli RNase H | 8864237 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8864237 | 10.1021/np960399y | Unchecked | 10 |
| 8864237 | 10.1021/np960399y | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 8864237 | 10.1021/np960399y | DNA polymerase alpha catalytic subunit | 2 |
| 8864237 | 10.1021/np960399y | DNA polymerase beta | 2 |
| 28494250 | 10.1016/j.ejmech.2017.05.004 | Mycobacterium tuberculosis | 1 |
| 28494250 | 10.1016/j.ejmech.2017.05.004 | Vero | 1 |
| 28494250 | 10.1016/j.ejmech.2017.05.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine