Compound Detail
CHEMBL261309
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C=C[C@]1(C)C[C@@H](OC(=O)CSC2CCNCC2)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL261309 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SFYIAMCXYRXIHH-MLOZCSCMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
477.7
MW (Da)
4.38
ALogP
6
HBA
2
HBD
75.6
PSA (Ų)
0.45
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 8.12 | 8.12 | 7.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 7.5 | nM | 8.12 | Displacement of [3H]SB-2587891 from Escherichia coli ribosomes | 17360517 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17360517 | 10.1073/pnas.0700041104 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine