Compound Detail
CHEMBL3547102
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Basic Information
| ChEMBL ID | CHEMBL3547102 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEVZIEJQXWLCQG-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
310.4
MW (Da)
2.78
ALogP
4
HBA
1
HBD
42.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nitric oxide synthase 1 CHEMBL3048 | Ki | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nitric oxide synthase 1 | Ki | = | 5500.0 | nM | 5.26 | Caco-2 Assay: Assays were performed at the NIMH Psychoactive Drug Screening Prog... | - |
Data from ChEMBL 36 via Core Engine