Compound Detail
CHEMBL1729533
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Cc1ccc(NC(=O)c2[nH]cnc2C(=O)NCCCCCCNC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL1729533 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KQTZXUNEZUOGNH-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
3.97
ALogP
6
HBA
6
HBD
173.8
PSA (Ų)
0.13
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.62 | 6.015 | 240.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 240.0 | nM | 6.62 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
| Unchecked | IC50 | = | 3930.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine