Compound Detail
CHEMBL2426474
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 | CHEMBL2426474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOUMUCTZMMLNTR-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
2
PK Parameters
20
Publications
0
Known Names
Molecular Properties
466.7
MW (Da)
3.87
ALogP
4
HBA
0
HBD
47.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MBT domain-containing protein 1 CHEMBL1287625 | IC50 | 5.52 | 5.0433 | 3000.0 | 3 |
| Lethal(3)malignant brain tumor-like protein 3 CHEMBL1287623 | IC50 | 5.22 | 5.16 | 6000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.007917 | hr | Homo sapiens |
| T1/2 | 0.002278 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MBT domain-containing protein 1 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of MBT domain containing MBTD1 (unknown origin) using H4K20me2 peptid... | 23292653 |
| MBT domain-containing protein 1 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of MBTD1 (unknown origin) after 30 mins by AlphaScreen assay | 24040942 |
| Lethal(3)malignant brain tumor-like protein 3 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of L3MBTL3 (unknown origin) using H4K20me2 peptide by Alpha-Screen me... | 23292653 |
| Lethal(3)malignant brain tumor-like protein 3 | IC50 | = | 8000.0 | nM | 5.1 | Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate in... | 24466405 |
| MBT domain-containing protein 1 | IC50 | = | 50000.0 | nM | 4.3 | Inhibition of MBTD1 (130 to 566) (unknown origin) expressed in Escherichia coli ... | 24466405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23292653 | 10.1038/nchembio.1157 | Lethal(3)malignant brain tumor-like protein 3 | 8 |
| 24040942 | 10.1021/jm400919p | Lethal(3)malignant brain tumor-like protein 3 | 3 |
| 24466405 | 10.1039/c3md00197k | PHD finger protein 23 | 1 |
| 23292653 | 10.1038/nchembio.1157 | Lysine-specific demethylase 5A | 1 |
| 23292653 | 10.1038/nchembio.1157 | MBT domain-containing protein 1 | 1 |
| 24466405 | 10.1039/c3md00197k | Lethal(3)malignant brain tumor-like protein 3 | 1 |
| 24466405 | 10.1039/c3md00197k | Lethal(3)malignant brain tumor-like protein 1 | 1 |
| 24466405 | 10.1039/c3md00197k | MBT domain-containing protein 1 | 1 |
| 24466405 | 10.1039/c3md00197k | TP53-binding protein 1 | 1 |
| 24466405 | 10.1039/c3md00197k | Chromobox protein homolog 7 | 1 |
| 24466405 | 10.1039/c3md00197k | E3 ubiquitin-protein ligase UHRF1 | 1 |
| 24466405 | 10.1039/c3md00197k | Lysine-specific demethylase 5A | 1 |
| 24040942 | 10.1021/jm400919p | Lethal(3)malignant brain tumor-like protein 4 | 1 |
| 24040942 | 10.1021/jm400919p | Scm-like with four MBT domains protein 1 | 1 |
| 24040942 | 10.1021/jm400919p | MBT domain-containing protein 1 | 1 |
| 24040942 | 10.1021/jm400919p | Chromobox protein homolog 7 | 1 |
| 24040942 | 10.1021/jm400919p | TP53-binding protein 1 | 1 |
| 24040942 | 10.1021/jm400919p | E3 ubiquitin-protein ligase UHRF1 | 1 |
| 24040942 | 10.1021/jm400919p | PHD finger protein 23 | 1 |
| 24040942 | 10.1021/jm400919p | Lysine-specific demethylase 5A | 1 |
Data from ChEMBL 36 via Core Engine