Compound Detail
CHEMBL1254904
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Basic Information
| ChEMBL ID | CHEMBL1254904 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFQVCWGZFFWCQY-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1615837 |
| Active Moiety | CHEMBL1615837 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
421.3
MW (Da)
4.68
ALogP
5
HBA
0
HBD
45.5
PSA (Ų)
0.60
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.18
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.18 | 7.18 | 66.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 6.29 | 6.29 | 510.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 5.01 | 5.01 | 9700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 66.0 | nM | 7.18 | Cytotoxicity against human 518A2 cells after 72 hrs by MTT assay | 20731355 |
| HT-29 | IC50 | = | 510.0 | nM | 6.29 | Cytotoxicity against human HT-29 cells after 72 hrs by MTT assay | 20731355 |
| HL-60 | IC50 | = | 9700.0 | nM | 5.01 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 20731355 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20731355 | 10.1021/jm100345r | NON-PROTEIN TARGET | 5 |
| 20731355 | 10.1021/jm100345r | HL-60 | 3 |
| 20731355 | 10.1021/jm100345r | 518A2 | 2 |
| 20731355 | 10.1021/jm100345r | HT-29 | 1 |
Data from ChEMBL 36 via Core Engine