Compound Detail
CHEMBL463317
VOACRISTINE Enter ChEMBL ID:
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COC(=O)[C@@]12C[C@@H]3C[C@H]([C@H](C)O)[C@@H]1N(CCc1c2[nH]c2ccc(OC)cc12)C3
Basic Information
| ChEMBL ID | CHEMBL463317 |
| Name | VOACRISTINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYMQKBZMKFJPMH-DPOSBGKNSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
2.23
ALogP
5
HBA
2
HBD
74.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.57
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 CHEMBL3108632 | EC50 | 4.57 | 4.57 | 27000.0 | 1 |
| Transient receptor potential cation channel subfamily A member 1 CHEMBL6007 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Transient receptor potential cation channel subfamily M member 8 | EC50 | = | 27000.0 | nM | 4.57 | Agonist activity at mouse TRPM8 expressed in T-REx HEK cells assessed as increas... | 25052206 |
| Transient receptor potential cation channel subfamily A member 1 | EC50 | = | 30000.0 | nM | 4.52 | Agonist activity at human TRPA1 expressed in T-REx HEK cells assessed as increas... | 25052206 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25052206 | 10.1021/np500235b | Transient receptor potential cation channel subfamily M member 8 | 5 |
| 25052206 | 10.1021/np500235b | Transient receptor potential cation channel subfamily A member 1 | 4 |
| 25052206 | 10.1021/np500235b | Transient receptor potential cation channel subfamily V member 1 | 3 |
| 12713407 | 10.1021/np020548e | A2780 | 1 |
| 20850311 | 10.1016/j.bmcl.2010.08.123 | Acetylcholinesterase | 1 |
| 25052206 | 10.1021/np500235b | ADMET | 1 |
Data from ChEMBL 36 via Core Engine