Compound Detail
CHEMBL8106
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Basic Information
| ChEMBL ID | CHEMBL8106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJTGYEZYCLLMBZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
228.3
MW (Da)
2.75
ALogP
3
HBA
1
HBD
38.4
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Nitric oxide synthase 3 CHEMBL4803 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL4481 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | IC50 | = | 140.0 | nM | 6.85 | Ability to inhibit the conversion of [3H]-L-Arg to [3H]L-citrulline catalyzed by... | 11327581 |
| Nitric oxide synthase 3 | IC50 | = | 4000.0 | nM | 5.4 | Ability to inhibit the conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by ... | 11327581 |
| Nitric oxide synthase, inducible | IC50 | = | 8300.0 | nM | 5.08 | Ability to inhibit the conversion of [3H]L-Arg to [3H]L-citrulline catalyzed by ... | 11327581 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11327581 | 10.1016/s0960-894x(01)00120-2 | Nitric oxide synthase, inducible | 1 |
| 11327581 | 10.1016/s0960-894x(01)00120-2 | Nitric oxide synthase 1 | 1 |
| 11327581 | 10.1016/s0960-894x(01)00120-2 | Nitric oxide synthase 3 | 1 |
Data from ChEMBL 36 via Core Engine