Compound Detail
CHEMBL93233
CINROMIDE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL93233 |
| Name | CINROMIDE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | LDCXGZCEMNMWIL-VOTSOKGWSA-N |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
18
Publications
4
Known Names
Molecular Properties
254.1
MW (Da)
2.60
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 5 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent neutral amino acid transporter B(0)AT1 CHEMBL5724588 | IC50 | 6.55 | 6.4267 | 280.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.55 | 6.49 | 280.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 280.0 | nM | 6.55 | Inhibition of B0AT1 (unknown origin) by FLIPR assay | 34718128 |
| Sodium-dependent neutral amino acid transporter B(0)AT1 | IC50 | = | 280.0 | nM | 6.55 | Affinity On-target Cellular interaction: (Fluorescence imaging plate reader (FLI... | - |
| Unchecked | IC50 | = | 370.0 | nM | 6.43 | Inhibition of B0AT1 (unknown origin) by radiolabled uptake assay | 34718128 |
| Sodium-dependent neutral amino acid transporter B(0)AT1 | IC50 | = | 370.0 | nM | 6.43 | Affinity On-target Cellular interaction: (Stable isotope uptake assay, MDCK cell... | - |
| Sodium-dependent neutral amino acid transporter B(0)AT1 | IC50 | = | 500.0 | nM | 6.3 | Affinity On-target Cellular interaction: (Detection of membrane depolarisation i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 6 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 3 |
| - | 10.6019/CHEMBL5723379 | Sodium-dependent neutral amino acid transporter B(0)AT1 | 3 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 34718128 | 10.1016/j.bmcl.2021.128421 | Unchecked | 2 |
| - | 10.6019/CHEMBL5724796 | Cyclin-dependent kinase 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Bromodomain-containing protein 4 | 1 |
| - | 10.6019/CHEMBL5724796 | Transcription intermediary factor 1-alpha | 1 |
| - | 10.6019/CHEMBL5724796 | Peregrin | 1 |
| - | 10.6019/CHEMBL5724796 | Fibroblast growth factor receptor 2 | 1 |
| - | 10.6019/CHEMBL5724796 | Tyrosine-protein kinase ABL1 | 1 |
| - | 10.6019/CHEMBL5724796 | Aurora kinase A | 1 |
| - | 10.6019/CHEMBL5724796 | Mitogen-activated protein kinase 1 | 1 |
| - | 10.6019/CHEMBL5724796 | Glycogen synthase kinase-3 beta | 1 |
| 12873507 | 10.1016/s0960-894x(03)00535-3 | NON-PROTEIN TARGET | 1 |
| - | 10.6019/CHEMBL5724796 | Casein kinase I isoform delta | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine