Compound Detail
CHEMBL2426480
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O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(C(=O)N2CCC(N3CCCC3)CC2)c1)N1CCC(N2CCCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL2426480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBTXWVRLLMDZSD-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
618.9
MW (Da)
3.79
ALogP
6
HBA
0
HBD
70.7
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal(3)malignant brain tumor-like protein 3 CHEMBL1287623 | IC50 | 6.96 | 6.94 | 110.0 | 2 |
| Lethal(3)malignant brain tumor-like protein 1 CHEMBL1287622 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| TP53-binding protein 1 CHEMBL2424509 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal(3)malignant brain tumor-like protein 3 | IC50 | = | 110.0 | nM | 6.96 | Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins... | 24040942 |
| Lethal(3)malignant brain tumor-like protein 3 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay | 24040942 |
| Lethal(3)malignant brain tumor-like protein 1 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of L3MBTL1 (unknown origin) after 30 mins by AlphaScreen assay | 24040942 |
| TP53-binding protein 1 | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of 53BP1 (unknown origin) after 30 mins by AlphaScreen assay | 24040942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24040942 | 10.1021/jm400919p | Lethal(3)malignant brain tumor-like protein 3 | 2 |
| 24040942 | 10.1021/jm400919p | Scm-like with four MBT domains protein 1 | 1 |
| 24040942 | 10.1021/jm400919p | Lethal(3)malignant brain tumor-like protein 4 | 1 |
| 24040942 | 10.1021/jm400919p | Lethal(3)malignant brain tumor-like protein 1 | 1 |
| 24040942 | 10.1021/jm400919p | Lysine-specific demethylase 5A | 1 |
| 24040942 | 10.1021/jm400919p | PHD finger protein 23 | 1 |
| 24040942 | 10.1021/jm400919p | E3 ubiquitin-protein ligase UHRF1 | 1 |
| 24040942 | 10.1021/jm400919p | TP53-binding protein 1 | 1 |
| 24040942 | 10.1021/jm400919p | Chromobox protein homolog 7 | 1 |
| 24040942 | 10.1021/jm400919p | MBT domain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine