Compound Detail
CHEMBL252573
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O=c1ccn([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL252573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHCYMLUZIRLXAA-CHKWXVPMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
468.1
MW (Da)
-1.47
ALogP
11
HBA
6
HBD
244.1
PSA (Ų)
0.24
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.0 | 4.0 | 100000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 100000.0 | nM | 4.0 | Inhibition of adenylyl cyclase | 17329110 |
| Unchecked | Ki | = | 100000.0 | nM | 4.0 | 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