Compound Detail
CHEMBL4169649
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Basic Information
| ChEMBL ID | CHEMBL4169649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNRKYQUXBKGOFZ-CFZZCFLMSA-N |
| Parent Compound | CHEMBL4303015 |
| Active Moiety | CHEMBL4303015 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
305.4
MW (Da)
0.85
ALogP
4
HBA
5
HBD
117.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase, inducible CHEMBL3464 | IC50 | 6.35 | 6.35 | 446.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase, inducible | IC50 | = | 446.0 | nM | 6.35 | Inhibition of recombinant mouse iNOS using [3H]L-arginine as substrate preincuba... | 29689474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29689474 | 10.1016/j.ejmech.2018.04.027 | Unchecked | 1 |
| 29689474 | 10.1016/j.ejmech.2018.04.027 | Nitric oxide synthase 3 | 1 |
| 29689474 | 10.1016/j.ejmech.2018.04.027 | Nitric oxide synthase, inducible | 1 |
Data from ChEMBL 36 via Core Engine