Compound Detail
CHEMBL1278132
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Basic Information
| ChEMBL ID | CHEMBL1278132 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IAFWSKDSYUFBEI-XLCHORMMSA-N |
| Parent Compound | CHEMBL607146 |
| Active Moiety | CHEMBL607146 |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
2.09
ALogP
5
HBA
3
HBD
72.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| Nitric oxide synthase, inducible CHEMBL3464 | Ki | 5.24 | 5.19 | 5800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 7.0 | nM | 8.15 | Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginin... | 24472039 |
| Nitric oxide synthase, inducible | Ki | = | 5800.0 | nM | 5.24 | Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-argin... | 24472039 |
| Nitric oxide synthase, inducible | Ki | = | 7200.0 | nM | 5.14 | Inhibition of mouse recombinant iNOS | 20958055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20958055 | 10.1021/jm100947x | Unchecked | 2 |
| 24472039 | 10.1021/jm401838x | Unchecked | 2 |
| 20958055 | 10.1021/jm100947x | Nitric oxide synthase, inducible | 1 |
| 20958055 | 10.1021/jm100947x | Nitric oxide synthase 3 | 1 |
| 20958055 | 10.1021/jm100947x | Nitric oxide synthase 1 | 1 |
| 24472039 | 10.1021/jm401838x | Nitric oxide synthase 3 | 1 |
| 24472039 | 10.1021/jm401838x | Nitric oxide synthase, inducible | 1 |
| 24472039 | 10.1021/jm401838x | Nitric oxide synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine