Compound Detail
CHEMBL1965403
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Basic Information
| ChEMBL ID | CHEMBL1965403 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHNDYSMOBYHFIK-SRZZPIQSSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
2.63
ALogP
4
HBA
3
HBD
96.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.16
IC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.16 | 6.16 | 685.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.61 | 4.61 | 24500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 685.0 | nM | 6.16 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| C-C chemokine receptor type 6 | IC50 | = | 24500.0 | nM | 4.61 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Data from ChEMBL 36 via Core Engine