Compound Detail
CHEMBL1673190
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[N-]=[N+]=N[C@H]1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COP(=O)(O)OP(=O)(O)OP(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL1673190 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JZBFFCANYXZLES-KVQBGUIXSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
532.2
MW (Da)
0.01
ALogP
13
HBA
6
HBD
307.4
PSA (Ų)
0.11
QED
3
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247 | Kd | 5.55 | 5.55 | 2800.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 8.9 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus type 1 reverse transcriptase | Kd | = | 2800.0 | nM | 5.55 | Binding affinity to HIV1 reverse transcriptase | 19596885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19596885 | 10.1128/aac.00392-09 | Human immunodeficiency virus type 1 reverse transcriptase | 4 |
| 19596885 | 10.1128/aac.00392-09 | PBMC | 1 |
Data from ChEMBL 36 via Core Engine