Compound Detail
CHEMBL4800471
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
COc1cc2c3c(c4ccc(OCCOC(=O)[C@@H](N)C(C)C)cc4c2cc1OC)CN1CCC[C@H]1C3
Basic Information
| ChEMBL ID | CHEMBL4800471 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JOJKZILKJWWPPP-JMQGSBJISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
4.44
ALogP
7
HBA
1
HBD
83.2
PSA (Ų)
0.28
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.11 | 5.11 | 7800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 7800.0 | nM | 5.11 | Antiproliferative activity against human HL-60 cells after 72 hrs by MTT assay | 31171403 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31171403 | 10.1016/j.bmc.2019.05.030 | Bel-7402 | 1 |
| 31171403 | 10.1016/j.bmc.2019.05.030 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine