Compound Detail
CHEMBL380500
VARIOLIN B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL380500 |
| Name | VARIOLIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTHKPHCVZVYDFN-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
1.21
ALogP
8
HBA
3
HBD
128.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.58
EC50 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | EC50 | 6.16 | 6.16 | 700.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.06 | 5.06 | 8800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of human recombinant CDK9 (773 to 928 residues) expressed in insect c... | 38232464 |
| Cyclin-dependent kinase 2 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of human recombinant CDK2 expressed in insect cells | 38232464 |
| Endothelial PAS domain-containing protein 1 | EC50 | = | 700.0 | nM | 6.16 | Inhibition of HIF2alpha in human 786-0 cells expressing truncated HIF1alpha asse... | 22928967 |
| NON-PROTEIN TARGET | IC50 | = | 8800.0 | nM | 5.06 | Cytotoxicity against human RCC4 cells expressing HIF2alpha and HIF1alpha after 2... | 22928967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22928967 | 10.1021/np300211x | Endothelial PAS domain-containing protein 1 | 8 |
| 22928967 | 10.1021/np300211x | Molecular identity unknown | 7 |
| 22928967 | 10.1021/np300211x | 786-0 | 4 |
| 22928967 | 10.1021/np300211x | Hypoxia-inducible factor 1-alpha | 3 |
| 16451088 | 10.1021/jm051090r | IGROV-1 | 2 |
| 22928967 | 10.1021/np300211x | NON-PROTEIN TARGET | 2 |
| 16451088 | 10.1021/jm051090r | HeLa | 2 |
| 16451088 | 10.1021/jm051090r | LoVo | 2 |
| 16451088 | 10.1021/jm051090r | HT-29 | 1 |
| 38232464 | 10.1016/j.ejmech.2024.116126 | Cyclin-dependent kinase 9 | 1 |
| 22928967 | 10.1021/np300211x | Unchecked | 1 |
| 22928967 | 10.1021/np300211x | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
| 16451088 | 10.1021/jm051090r | DU-145 | 1 |
| 16451088 | 10.1021/jm051090r | PANC-1 | 1 |
| 16451088 | 10.1021/jm051090r | K562 | 1 |
| 16451088 | 10.1021/jm051090r | A549 | 1 |
| 16451088 | 10.1021/jm051090r | HMEC | 1 |
| 16451088 | 10.1021/jm051090r | SK-MEL-28 | 1 |
| 16451088 | 10.1021/jm051090r | SK-BR-3 | 1 |
| 16451088 | 10.1021/jm051090r | SK-OV-3 | 1 |
Data from ChEMBL 36 via Core Engine