Compound Detail
CHEMBL3653256
SIREMADLIN 🧪 Phase II
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
🧪 Phase II
COc1ncc(-c2nc3c(n2C(C)C)[C@H](c2ccc(Cl)cc2)N(c2cc(Cl)cn(C)c2=O)C3=O)c(OC)n1
Basic Information
| ChEMBL ID | CHEMBL3653256 |
| Name | SIREMADLIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | AGBSXNCBIWWLHD-FQEVSTJZSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
7
Known Names
7
Indications
1
Mechanisms
Molecular Properties
555.4
MW (Da)
4.69
ALogP
9
HBA
0
HBD
104.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Tumour suppressor p53/oncoprotein Mdm2 inhibitor | INHIBITOR | Tumour suppressor p53/oncoprotein Mdm2 | ✓ | ✓ |
Indications
Neoplasms Leukemia, Myeloid, Acute Liposarcoma Liver Diseases Primary Myelofibrosis Sarcoma Uveal Melanoma
Activity Summary
IC50 4 meas. best 9.68
Ki 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | IC50 | 9.68 | 9.6667 | 0.2 | 3 |
| E3 ubiquitin-protein ligase Mdm2 CHEMBL5023 | Ki | 9.68 | 9.68 | 0.2 | 1 |
| Protein Mdm4 CHEMBL1255126 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 0.21 | nM | 9.68 | Inhibition of human MDM2 by TR-FRET assay | 35420431 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 0.21 | nM | 9.68 | Inhibition of human MDM2 by TR-FRET assay | 38581730 |
| E3 ubiquitin-protein ligase Mdm2 | Ki | = | 0.21 | nM | 9.68 | Inhibition of MDM2 (unknown origin) | 30253242 |
| E3 ubiquitin-protein ligase Mdm2 | IC50 | = | 0.23 | nM | 9.64 | Time Resolved Fluorescence Energy Transfer (TR-FRET) Assay: The inhibition of p5... | - |
| Protein Mdm4 | IC50 | = | 3000.0 | nM | 5.52 | Inhibition of human MDM4 by TR-FRET assay | 35420431 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 30253242 | 10.1016/j.ejmech.2018.09.044 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| 35420431 | 10.1021/acs.jmedchem.2c00095 | E3 ubiquitin-protein ligase Mdm2 | 1 |
| 35420431 | 10.1021/acs.jmedchem.2c00095 | Protein Mdm4 | 1 |
| 38581730 | 10.1016/j.ejmech.2024.116366 | E3 ubiquitin-protein ligase Mdm2 | 1 |
Data from ChEMBL 36 via Core Engine