Compound Detail
CHEMBL5273040
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 | CHEMBL5273040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCSFQXYKHFZUTC-YOEHMKRZSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
390.4
MW (Da)
-1.44
ALogP
6
HBA
3
HBD
134.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 6.27
IC50 2 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 5A CHEMBL2424504 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| MDA-MB-231 CHEMBL400 | EC50 | 6.27 | 6.27 | 540.0 | 1 |
| MDA-MB-468 CHEMBL614335 | EC50 | 6.15 | 6.15 | 710.0 | 1 |
| MCF7 CHEMBL387 | EC50 | 5.65 | 5.65 | 2260.0 | 1 |
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 5.22 | 5.22 | 6030.0 | 1 |
| MCF-10A CHEMBL614321 | EC50 | 5.09 | 5.09 | 8210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 5A | IC50 | = | 24.0 | nM | 7.62 | Inhibition of KDM5A (unknown origin ) demethylase activity using H3 as substrate... | 34555614 |
| MDA-MB-231 | EC50 | = | 540.0 | nM | 6.27 | Antiproliferative activity against human MDA-MB-231 cells assessed as reduction ... | 34555614 |
| MDA-MB-468 | EC50 | = | 710.0 | nM | 6.15 | Antiproliferative activity against human MDA-MB-468 cells assessed as reduction ... | 34555614 |
| MCF7 | EC50 | = | 2260.0 | nM | 5.65 | Cytotoxicity against human MCF7 cells assessed as cell growth inhibition after 4... | 34555614 |
| Lysine-specific demethylase 5C | IC50 | = | 6030.0 | nM | 5.22 | Inhibition of KDM5C (unknown origin ) demethylase activity using H3 as substrate... | 34555614 |
| MCF-10A | EC50 | = | 8210.0 | nM | 5.09 | Cytotoxicity against human MCF-10A cells assessed as cell growth inhibition afte... | 34555614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34555614 | 10.1016/j.ejmech.2021.113855 | MDA-MB-231 | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | MDA-MB-468 | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5A | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | Lysine-specific demethylase 5C | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | MCF7 | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | MCF-10A | 1 |
| 34555614 | 10.1016/j.ejmech.2021.113855 | L02 | 1 |
Data from ChEMBL 36 via Core Engine