Compound Detail
CHEMBL1441701
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CC(C)(C)OC(=O)NCCCCCc1cn(CC(=O)NCCCCCCCCCCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1
Basic Information
| ChEMBL ID | CHEMBL1441701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEAINKGCOOPOTQ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
663.9
MW (Da)
5.22
ALogP
9
HBA
2
HBD
148.0
PSA (Ų)
0.19
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.53 | 5.53 | 2930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| Zinc finger protein GLI1 | IC50 | = | 2930.0 | nM | 5.53 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
Data from ChEMBL 36 via Core Engine