Compound Detail
CHEMBL3964997
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Cc1cc(N2C(=O)NC(=O)C23COC3)cc(C)c1CCS(=O)(=O)N1CCC2(CC1)N=C(c1ccc(OC(F)(F)F)cc1)NC2=O
Basic Information
| ChEMBL ID | CHEMBL3964997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMHJWHBMOVKVON-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
649.6
MW (Da)
2.31
ALogP
8
HBA
2
HBD
146.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor CHEMBL6038 | EC50 | 4.92 | 4.92 | 12000.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Parathyroid hormone/parathyroid hormone-related peptide receptor | EC50 | = | 12000.0 | nM | 4.92 | cAMP Assay: Instead of HKRK-B7 cells, LLC-PK46_RATO_PTH1R cells overexpressing r... | - |
| Unchecked | EC50 | = | 21000.0 | nM | 4.68 | cAMP Assay: HKRK-B7 or LLC-PK1 cells were seeded into a 96-well plate at 1×105 c... | - |
Data from ChEMBL 36 via Core Engine