Compound Detail
CHEMBL3545187
VERDINEXOR 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL3545187 |
| Name | VERDINEXOR |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | OPAKEJZFFCECPN-XQRVVYSFSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
17
Publications
2
Known Names
Molecular Properties
442.3
MW (Da)
3.99
ALogP
6
HBA
2
HBD
84.7
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
EC50 3 meas. best 7.62
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Exportin-1 CHEMBL5661 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
| Jurkat CHEMBL397 | EC50 | 7.57 | 7.57 | 27.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| SK-N-BE(2) CHEMBL5058623 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 5.48 | 5.48 | 3280.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Exportin-1 | EC50 | = | 24.0 | nM | 7.62 | Inhibition of XPO1 in human Jurkat cells assessed as suppression of IL-2 express... | 39005064 |
| Jurkat | EC50 | = | 27.0 | nM | 7.57 | Cytotoxicity against human Jurkat cells incubated for 24 hrs by celltiter glo as... | 39005064 |
| SH-SY5Y | IC50 | = | 300.0 | nM | 6.52 | Antiproliferative activity against human SH-SY5Y cells by CCK-8 assay | 34669417 |
| SK-N-BE(2) | IC50 | = | 1400.0 | nM | 5.85 | Antiproliferative activity against human SK-N-BE(2) cells by CCK-8 assay | 34669417 |
| Influenza A virus | EC50 | = | 3280.0 | nM | 5.48 | Antiviral activity against Influenza A virus (A/WSN/33) infected in MDCK cells a... | 30753063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39005064 | 10.1021/acs.jmedchem.4c00754 | Exportin-1 | 2 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| - | 10.6019/CHEMBL4513161 | Acinetobacter baumannii | 1 |
| 39005064 | 10.1021/acs.jmedchem.4c00754 | ADMET | 1 |
| 39005064 | 10.1021/acs.jmedchem.4c00754 | Jurkat | 1 |
| 34669417 | 10.1021/acs.jmedchem.1c01145 | SH-SY5Y | 1 |
| 34669417 | 10.1021/acs.jmedchem.1c01145 | SK-N-BE(2) | 1 |
| - | 10.6019/CHEMBL4513161 | HEK293 | 1 |
| - | 10.6019/CHEMBL4513161 | Erythrocyte | 1 |
| - | 10.6019/CHEMBL4513161 | Staphylococcus aureus | 1 |
| 30753063 | 10.1021/acs.jmedchem.8b01683 | Unchecked | 1 |
| - | 10.6019/CHEMBL4513161 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513161 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513161 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513161 | Candida albicans | 1 |
| 30753063 | 10.1021/acs.jmedchem.8b01683 | Influenza A virus | 1 |
| 30753063 | 10.1021/acs.jmedchem.8b01683 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine