Compound Detail
CHEMBL369225
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C#Cc1cccc2c1c(C(=O)c1ccc(Cn3c(C)nc4cnccc43)c(F)c1)cn2C(=O)N(C)C
Basic Information
| ChEMBL ID | CHEMBL369225 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDLNHSUSOZEAOR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
2
PK Parameters
7
Publications
0
Known Names
Molecular Properties
479.5
MW (Da)
4.62
ALogP
6
HBA
0
HBD
73.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Platelet-activating factor receptor CHEMBL250 | Ki | 9.24 | 9.24 | 0.6 | 1 |
| Platelet-activating factor receptor CHEMBL5136 | Ki | 9.0 | 8.87 | 1.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 49.0 | % | Rattus norvegicus |
| F | 56.0 | % | Primates |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Platelet-activating factor receptor | Ki | = | 0.57 | nM | 9.24 | The compound was evaluated for its binding affinity against PAF receptor in huma... | 9438024 |
| Platelet-activating factor receptor | Ki | = | 1.0 | nM | 9.0 | Binding potency against Platelet activating factor (PAF) receptor using [3H]C18-... | 9438024 |
| Platelet-activating factor receptor | Ki | = | 1.8 | nM | 8.74 | The compound was evaluated for its binding affinity against PAF receptor in rabb... | 9438024 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9438024 | 10.1021/jm970389+ | Platelet-activating factor receptor | 5 |
| 9438024 | 10.1021/jm970389+ | ADMET | 3 |
| 9438024 | 10.1021/jm970389+ | Cavia porcellus | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine