Compound Detail
CHEMBL152841
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Basic Information
| ChEMBL ID | CHEMBL152841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROPYVXBCVYBUPM-RKDXNWHRSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
168.3
MW (Da)
2.54
ALogP
1
HBA
2
HBD
35.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.6 | 6.05 | 250.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 250.0 | nM | 6.6 | Inhibitory activity against Inducible nitric oxide synthase | 14667223 |
| Unchecked | Ki | = | 3200.0 | nM | 5.5 | Inhibitory activity against neuronal nitric oxide synthase | 14667223 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14667223 | 10.1021/jm030301u | Unchecked | 3 |
Data from ChEMBL 36 via Core Engine