Compound Detail
CHEMBL3139608
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Basic Information
| ChEMBL ID | CHEMBL3139608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIPUHKWELQSESM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.68
ALogP
3
HBA
2
HBD
50.9
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 7.22 | 7.22 | 60.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4802 | Ki | 5.43 | 5.43 | 3690.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | Ki | 4.49 | 4.49 | 32300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 60.0 | nM | 7.22 | Inhibition Assay: To test for enzyme inhibition, the hemoglobin capture assay wa... | - |
| Nitric oxide synthase 3 | Ki | = | 3690.0 | nM | 5.43 | Inhibition Assay: To test for enzyme inhibition, the hemoglobin capture assay wa... | - |
| Nitric oxide synthase, inducible | Ki | = | 32300.0 | nM | 4.49 | Inhibition Assay: To test for enzyme inhibition, the hemoglobin capture assay wa... | - |
Data from ChEMBL 36 via Core Engine