Compound Detail
CHEMBL1581759
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CC(C)CC(NC(=O)CCCNC(=O)CCC(=O)OC1O[C@H]2OC3(C)CC[C@H]4[C@H](C)CCC(C1C)C24OO3)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1581759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UKEGJFCNVSBHRO-JCOIWJHGSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
582.7
MW (Da)
3.03
ALogP
9
HBA
3
HBD
158.7
PSA (Ų)
0.18
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 6.3 | 6.3 | 501.8 | 1 |
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 6.21 | 6.21 | 619.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.5 | 4.5 | 31792.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Krueppel-like factor 5 | IC50 | = | 501.81 | nM | 6.3 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Zinc finger protein GLI1 | IC50 | = | 619.0 | nM | 6.21 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| Unchecked | IC50 | = | 31792.0 | nM | 4.5 | PUBCHEM_BIOASSAY: Luminescence-based counterscreen assay for KLF5 inhibitors: do... | - |
Data from ChEMBL 36 via Core Engine