Compound Detail
CHEMBL463661
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Basic Information
| ChEMBL ID | CHEMBL463661 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UTSFQNUEORONRN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
1.75
ALogP
6
HBA
3
HBD
119.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| L1210 CHEMBL386 | IC50 | 4.97 | 4.97 | 10600.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.5 | 4.5 | 31700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 10600.0 | nM | 4.97 | Antiproliferative activity against mouse L1210 cells by microculture tetrazolium... | 17502122 |
| NON-PROTEIN TARGET | IC50 | = | 11500.0 | nM | 4.94 | Antiproliferative activity against human HCT16 cells microculture tetrazolium as... | 17502122 |
| HT-29 | IC50 | = | 31700.0 | nM | 4.5 | Antiproliferative activity against human HT29 cells microculture tetrazolium ass... | 17502122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17502122 | 10.1016/j.ejmech.2007.03.026 | L1210 | 1 |
| 17502122 | 10.1016/j.ejmech.2007.03.026 | NON-PROTEIN TARGET | 1 |
| 17502122 | 10.1016/j.ejmech.2007.03.026 | HT-29 | 1 |
| 17502122 | 10.1016/j.ejmech.2007.03.026 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine