Compound Detail
CHEMBL597800
ATF-936 Phase I
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Phase I
C#CCOc1ccc2c(c1)c(-c1ccc(C(C)C)cc1)nc(=O)n2Cc1ccc(OC)c(OCC)c1
Basic Information
| ChEMBL ID | CHEMBL597800 |
| Name | ATF-936 |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | IIBRYYCFSIBSFT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
2
Known Names
Molecular Properties
482.6
MW (Da)
5.65
ALogP
6
HBA
0
HBD
62.6
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor CHEMBL1878 | IC50 | 8.85 | 8.85 | 1.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Extracellular calcium-sensing receptor | IC50 | = | 1.4 | nM | 8.85 | Antagonist activity at human CaSR expressed in CCL39 cells assessed as inhibitio... | 20158186 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20158186 | 10.1021/jm901811v | Extracellular calcium-sensing receptor | 1 |
| 20158186 | 10.1021/jm901811v | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine