Compound Detail
CHEMBL1203698
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Basic Information
| ChEMBL ID | CHEMBL1203698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSZAYAHSZXNOJI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL346471 |
| Active Moiety | CHEMBL346471 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
2.69
ALogP
4
HBA
1
HBD
54.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 7.24 | 7.24 | 58.0 | 1 |
| HCT-8 CHEMBL613510 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
| Zinc finger protein GLI1 CHEMBL5007 | IC50 | 5.52 | 5.52 | 3020.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.09 | 5.09 | 8206.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 58.0 | nM | 7.24 | Inhibition murine leukemia L1210 cell growth in culture | 3560161 |
| HCT-8 | IC50 | = | 520.0 | nM | 6.28 | Inhibition of human colon tumor (HCT-8) cell growth in culture | 3560161 |
| Zinc finger protein GLI1 | IC50 | = | 3020.0 | nM | 5.52 | PubChem BioAssay. Dose response confirmation of uHTS antagonist hits from Gli-SU... | - |
| Unchecked | IC50 | = | 8206.0 | nM | 5.09 | PubChem BioAssay. TRFRET-based biochemical high throughput dose response assay t... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3560161 | 10.1021/jm00387a014 | No relevant target | 2 |
| 3560161 | 10.1021/jm00387a014 | Nucleic Acid | 2 |
| 3560161 | 10.1021/jm00387a014 | L1210 | 1 |
| 3560161 | 10.1021/jm00387a014 | HCT-8 | 1 |
| 3560161 | 10.1021/jm00387a014 | P388 | 1 |
| 3560161 | 10.1021/jm00387a014 | Lewis lung carcinoma cell line | 1 |
| 3560161 | 10.1021/jm00387a014 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine