Compound Detail
CHEMBL1448647
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CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F
Basic Information
| ChEMBL ID | CHEMBL1448647 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IDSWMLFUHQDHQU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
4.01
ALogP
7
HBA
2
HBD
113.2
PSA (Ų)
0.38
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 4.77 | 4.77 | 16837.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 16837.0 | nM | 4.77 | PUBCHEM_BIOASSAY: Fluorescence-based counterscreen for potentiators or agonists ... | - |
Data from ChEMBL 36 via Core Engine