Compound Detail
CHEMBL1204194
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Basic Information
| ChEMBL ID | CHEMBL1204194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRCDFYQHKHJZQM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL288958 |
| Active Moiety | CHEMBL288958 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
103.1
MW (Da)
-0.32
ALogP
3
HBA
1
HBD
75.8
PSA (Ų)
0.36
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GM892A cell line CHEMBL614505 | IC50 | 4.46 | 4.46 | 35000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GM892A cell line | IC50 | = | 35000.0 | nM | 4.46 | In vitro cytotoxicity against human lymphoblastoid cell (GM892 A) | 7739008 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7739008 | 10.1021/jm00009a010 | GM892A cell line | 1 |
| 7739008 | 10.1021/jm00009a010 | Raji | 1 |
| 7739008 | 10.1021/jm00009a010 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine