Compound Detail
CHEMBL192371
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O=c1ccn([C@H]2CC[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL192371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTXOHOIOFJSIFX-POYBYMJQSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
452.1
MW (Da)
-0.44
ALogP
10
HBA
5
HBD
223.9
PSA (Ų)
0.32
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Ki | 6.26 | 6.26 | 545.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.0 | hr | Bos taurus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | Ki | = | 545.0 | nM | 6.26 | Inhibitory constant against HIV-1 reverse transcriptase | 15801860 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15801860 | 10.1021/jm040101y | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 15801860 | 10.1021/jm040101y | ADMET | 1 |
Data from ChEMBL 36 via Core Engine