Compound Detail
CHEMBL4650328
AVOTACICLIB Phase I
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Phase I
Basic Information
| ChEMBL ID | CHEMBL4650328 |
| Name | AVOTACICLIB |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | VFVAQKKPFOPZEA-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
4
Known Names
2
Indications
Molecular Properties
281.3
MW (Da)
0.87
ALogP
8
HBA
3
HBD
136.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Glioblastoma Pancreatic Neoplasms
Activity Summary
IC50 4 meas. best 8.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.82 | 7.9033 | 1.5 | 3 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 8.62 | 8.62 | 2.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | Inhibition of CDK1/Cyclin B (unknown origin) | 35485642 |
| Unchecked | IC50 | = | 1.5 | nM | 8.82 | Inhibition of CDK2/Cyclin E (unknown origin) | 35485642 |
| Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | = | 2.4 | nM | 8.62 | Inhibition of CDK5/p35 (unknown origin) | 35485642 |
| Unchecked | IC50 | = | 854.5 | nM | 6.07 | Inhibition of CDK4/cyclin D (unknown origin) | 35485642 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35485642 | 10.1021/acs.jmedchem.1c02064 | Unchecked | 4 |
| 35485642 | 10.1021/acs.jmedchem.1c02064 | Cyclin-dependent kinase 5/CDK5 activator 1 | 1 |
Data from ChEMBL 36 via Core Engine