Compound Detail
CHEMBL1517801
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Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1.Cl
Basic Information
| ChEMBL ID | CHEMBL1517801 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HLSNEVDZFDRXSB-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1623025 |
| Active Moiety | CHEMBL1623025 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
502.7
MW (Da)
3.22
ALogP
7
HBA
0
HBD
83.0
PSA (Ų)
0.47
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 8.15 | 6.555 | 7.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 7.0 | nM | 8.15 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Primary HTS to Identify ... | - |
| Unchecked | EC50 | = | 10828.0 | nM | 4.96 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
Data from ChEMBL 36 via Core Engine