Compound Detail
CHEMBL1993788
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Basic Information
| ChEMBL ID | CHEMBL1993788 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDIYKAIBQSIQBY-RIYZIHGNSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.29
ALogP
5
HBA
2
HBD
79.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.71
IC50 1 meas. best 4.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.71 | 5.61 | 1945.0 | 2 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1945.0 | nM | 5.71 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| Unchecked | EC50 | = | 3056.0 | nM | 5.51 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... | - |
| C-C chemokine receptor type 6 | IC50 | = | 21700.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine