Compound Detail
CHEMBL1834929
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
Basic Information
| ChEMBL ID | CHEMBL1834929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRFRSKDYIFHZQL-UHFFFAOYSA-N |
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
466.1
MW (Da)
4.66
ALogP
4
HBA
0
HBD
61.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| U-266 CHEMBL2366315 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 6.3 | 6.3 | 500.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 5.94 | 5.94 | 1140.0 | 1 |
| UACC-903 CHEMBL612446 | IC50 | 5.65 | 5.65 | 2230.0 | 1 |
| A549 CHEMBL392 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.61 | 4.61 | 24700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against human MM.1 cells assessed as inhibition of cell growth incu... | 35247756 |
| U-266 | IC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against human U-266 cells assessed as inhibition of cell growth inc... | 35247756 |
| RPMI-8226 | IC50 | = | 500.0 | nM | 6.3 | Cytotoxicity against human RPMI-8226 cells assessed as inhibition of cell growth... | 35247756 |
| HT-29 | IC50 | = | 1140.0 | nM | 5.94 | Cytotoxicity against human HT-29 cells after 48 hrs by MTS assay | 21920762 |
| UACC-903 | IC50 | = | 2230.0 | nM | 5.65 | Cytotoxicity against human UACC903 cells after 48 hrs by MTS assay | 21920762 |
| A549 | IC50 | = | 2530.0 | nM | 5.6 | Cytotoxicity against human A549 cells after 48 hrs by MTS assay | 21920762 |
| MCF7 | IC50 | = | 24700.0 | nM | 4.61 | Cytotoxicity against human MCF7 cells after 48 hrs by MTS assay | 21920762 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21920762 | 10.1016/j.bmc.2011.08.044 | HT-29 | 22 |
| 21920762 | 10.1016/j.bmc.2011.08.044 | RAC-alpha serine/threonine-protein kinase | 2 |
| 35247756 | 10.1016/j.ejmech.2022.114232 | U-266 | 2 |
| 21920762 | 10.1016/j.bmc.2011.08.044 | MCF7 | 1 |
| 21920762 | 10.1016/j.bmc.2011.08.044 | A549 | 1 |
| 21920762 | 10.1016/j.bmc.2011.08.044 | UACC-903 | 1 |
| 21920762 | 10.1016/j.bmc.2011.08.044 | MEF | 1 |
| 21920762 | 10.1016/j.bmc.2011.08.044 | Unchecked | 1 |
| 35247756 | 10.1016/j.ejmech.2022.114232 | Tyrosine-protein kinase BTK | 1 |
| 35247756 | 10.1016/j.ejmech.2022.114232 | Tubulin | 1 |
| 35247756 | 10.1016/j.ejmech.2022.114232 | Unchecked | 1 |
| 35247756 | 10.1016/j.ejmech.2022.114232 | RPMI-8226 | 1 |
Data from ChEMBL 36 via Core Engine