Compound Detail
CHEMBL1199140
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Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1199140 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQKWOKYIYHENJD-XKLVTHTNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
607.3
MW (Da)
-0.23
ALogP
14
HBA
7
HBD
279.1
PSA (Ų)
0.13
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 85000.0 | nM | 4.07 | Inhibitory concentration of compound on platelet aggregation | 15828813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828813 | 10.1021/jm0493562 | Unchecked | 9 |
Data from ChEMBL 36 via Core Engine