Compound Detail
CHEMBL3038046
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NCC1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)O[C@@H]2CSCCOCCSSCCOCCSC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@H]3O[C@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H](O)[C@@H]2O[C@@H]2OC(CN)[C@H](O)[C@@H](O)[C@@H]2N)[C@H](N)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL3038046 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AVTMARLPEJHNSQ-ZAPUGHGMSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1467.8
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleic Acid CHEMBL345 | Kd | 7.7 | 7.1 | 20.0 | 2 |
| Unchecked CHEMBL612545 | Kd | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleic Acid | Kd | = | 20.0 | nM | 7.7 | Dissociation constant towards 16S rRNA construct B | 10915059 |
| Unchecked | Kd | = | 20.0 | nM | 7.7 | Dissociation constant with dimeric 16S rRNA RNA construct B | 11677142 |
| Nucleic Acid | Kd | = | 320.0 | nM | 6.5 | Dissociation constant towards 16S rRNA construct A | 10915059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00339-9 | ADMET | 3 |
| 10915059 | 10.1016/s0960-894x(00)00299-7 | Nucleic Acid | 2 |
| 11844684 | 10.1016/s0960-894x(01)00823-x | Human immunodeficiency virus 1 | 1 |
| 11677142 | 10.1016/s0960-894x(01)00602-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine