Compound Detail
CHEMBL1214066
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Basic Information
| ChEMBL ID | CHEMBL1214066 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AULLUGALUBVBDD-UHFFFAOYSA-N |
2
Targets
7
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
515.7
MW (Da)
2.24
ALogP
10
HBA
1
HBD
78.5
PSA (Ų)
0.45
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT1 CHEMBL6031 | IC50 | 7.82 | 7.73 | 15.0 | 2 |
| Histone-lysine N-methyltransferase EHMT2 CHEMBL6032 | IC50 | 5.22 | 5.0767 | 6000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Histone-lysine N-methyltransferase EHMT1 | IC50 | = | 15.0 | nM | 7.82 | Activity at methyl transferase activity GLP by enzyme coupled S-adenocylehomocys... | 20614940 |
| Histone-lysine N-methyltransferase EHMT1 | IC50 | = | 23.0 | nM | 7.64 | Activity at methyl transferase activity GLP by chemiluminescence based oxygen tu... | 20614940 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of methyl transferase activity of G9a assessed as inhibition of H3K9 ... | 20614940 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 9000.0 | nM | 5.05 | Activity at methyl transferase activity G9a by enzyme coupled S-adenocylehomocys... | 20614940 |
| Histone-lysine N-methyltransferase EHMT2 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 aft... | 21780790 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 20614940 | 10.1021/jm100478y | Histone-lysine N-methyltransferase EHMT1 | 2 |
| 20614940 | 10.1021/jm100478y | Histone-lysine N-methyltransferase EHMT2 | 2 |
| 21780790 | 10.1021/jm200903z | Histone-lysine N-methyltransferase EHMT2 | 2 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 20614940 | 10.1021/jm100478y | Unchecked | 1 |
| 20614940 | 10.1021/jm100478y | Protein arginine N-methyltransferase 3 | 1 |
| 20614940 | 10.1021/jm100478y | N-lysine methyltransferase KMT5A | 1 |
| 20614940 | 10.1021/jm100478y | Histone-lysine N-methyltransferase SETD7 | 1 |
| 21780790 | 10.1021/jm200903z | MDA-MB-231 | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 37974951 | 10.1021/acsmedchemlett.3c00344 | Histone-lysine N-methyltransferase EHMT2 | 1 |
Data from ChEMBL 36 via Core Engine