Compound Detail
CHEMBL1508707
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CCN(CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)c1nc2ccc(OC)cc2s1.Cl
Basic Information
| ChEMBL ID | CHEMBL1508707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHIAVRLOPFZUKT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1623955 |
| Active Moiety | CHEMBL1623955 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
558.8
MW (Da)
5.25
ALogP
7
HBA
0
HBD
83.0
PSA (Ų)
0.32
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.98 | 6.98 | 105.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 105.0 | nM | 6.98 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
Data from ChEMBL 36 via Core Engine