Compound Detail
CHEMBL2426477
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O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c([N+](=O)[O-])c1)N1CCC(N2CCCC2)CC1
Basic Information
| ChEMBL ID | CHEMBL2426477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CBIKBQZFFZTRHZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
483.6
MW (Da)
3.00
ALogP
6
HBA
0
HBD
90.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal(3)malignant brain tumor-like protein 3 CHEMBL1287623 | IC50 | 7.06 | 6.93 | 88.0 | 2 |
| Lethal(3)malignant brain tumor-like protein 1 CHEMBL1287622 | IC50 | 5.57 | 5.57 | 2700.0 | 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 | = | 88.0 | nM | 7.06 | Inhibition of L3MBTL3 (unknown origin) using H4K20me2 as substrate after 30 mins... | 24040942 |
| Lethal(3)malignant brain tumor-like protein 3 | IC50 | = | 160.0 | nM | 6.8 | Inhibition of L3MBTL3 (unknown origin) after 30 mins by AlphaScreen assay | 24040942 |
| Lethal(3)malignant brain tumor-like protein 1 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of L3MBTL1 (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 | 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 |
| 24040942 | 10.1021/jm400919p | Scm-like with four MBT domains protein 1 | 1 |
Data from ChEMBL 36 via Core Engine