Compound Detail
CHEMBL400999
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Cc1cc(C)n2c1C=C1C=CC(CCC(=O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)NP(=O)(O)O)O[C@H]3n3cnc4c(=O)[nH]c(N)nc43)=[N+]1[B-]2(F)F
Basic Information
| ChEMBL ID | CHEMBL400999 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FUNNXBKRAFWATN-UGTJMOTHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
796.3
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.85 | 5.85 | 1400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1400.0 | nM | 5.85 | Inhibition of adenylyl cyclase | 17329110 |
| Unchecked | Ki | = | 1412.54 | nM | 5.85 | Inhibition of adenylyl cyclase | 17329110 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17329110 | 10.1016/j.bmc.2007.02.014 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine