Compound Detail
CHEMBL339133
LOMEGUATRIB 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL339133 |
| Name | LOMEGUATRIB |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JUJPKFNFCWJBCX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
3
Known Names
Molecular Properties
326.2
MW (Da)
2.34
ALogP
6
HBA
2
HBD
89.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase CHEMBL2864 | IC50 | 8.52 | 8.285 | 3.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Methylated-DNA--protein-cysteine methyltransferase | IC50 | = | 3.0 | nM | 8.52 | Inactivation of human O-6-methylguanine-DNA methyltransferase assessed as [3H]me... | 21320783 |
| Methylated-DNA--protein-cysteine methyltransferase | IC50 | = | 9.0 | nM | 8.05 | In vitro inhibition of MGMT using cell free extracts from HeLa S3 cells | 11708909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 33691794 | 10.1186/s13148-021-01037-1 | A549 | 4 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 11708909 | 10.1021/jm010006e | Methylated-DNA--protein-cysteine methyltransferase | 1 |
| 21320783 | 10.1016/j.bmc.2011.01.038 | Methylated-DNA--protein-cysteine methyltransferase | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| 34731767 | 10.1016/j.ejmech.2021.113909 | Methylated-DNA--protein-cysteine methyltransferase | 1 |
Data from ChEMBL 36 via Core Engine