Compound Detail
CHEMBL1254993
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Basic Information
| ChEMBL ID | CHEMBL1254993 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKMOVBYROZMEFD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1615623 |
| Active Moiety | CHEMBL1615623 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.67
ALogP
6
HBA
1
HBD
73.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 0.9 | nM | 9.05 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 20731355 |
| NON-PROTEIN TARGET | IC50 | = | 110.0 | nM | 6.96 | Cytotoxicity against human 518A2 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