Compound Detail
CHEMBL2147965
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C#CCOC(=O)CC1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(NC(=O)CCl)c3)cc21
Basic Information
| ChEMBL ID | CHEMBL2147965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RGCFUVMOPOIJOC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.9
MW (Da)
2.92
ALogP
7
HBA
2
HBD
117.0
PSA (Ų)
0.33
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 5300.0 | nM | 5.28 | Cytotoxicity against human HL60 cells assessed as cell viability after 48 hrs by... | 22582991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22582991 | 10.1021/jm300515q | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine