Compound Detail
CHEMBL4802156
VEVORISERTIB Phase I
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Phase I
CC(=O)N(C)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL4802156 |
| Name | VEVORISERTIB |
| Phase | Phase I |
| Structure Type | MOL |
| InChI Key | NZDSLYATTDIDPH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
2
Indications
Molecular Properties
586.7
MW (Da)
5.52
ALogP
8
HBA
2
HBD
119.2
PSA (Ų)
0.27
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Neoplasms Neoplasms
Activity Summary
IC50 3 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 9.26 | 9.26 | 0.6 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | IC50 | 9.09 | 9.09 | 0.8 | 1 |
| RAC-gamma serine/threonine-protein kinase CHEMBL4816 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 0.55 | nM | 9.26 | Inhibition of AKT1 (unknown origin) | 36503229 |
| RAC-beta serine/threonine-protein kinase | IC50 | = | 0.81 | nM | 9.09 | Inhibition of AKT2 (unknown origin) | 36503229 |
| RAC-gamma serine/threonine-protein kinase | IC50 | = | 1.3 | nM | 8.89 | Inhibition of AKT3 (unknown origin) | 36503229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36503229 | 10.1021/acs.jmedchem.2c01070 | RAC-alpha serine/threonine-protein kinase | 1 |
| 36503229 | 10.1021/acs.jmedchem.2c01070 | RAC-beta serine/threonine-protein kinase | 1 |
| 36503229 | 10.1021/acs.jmedchem.2c01070 | RAC-gamma serine/threonine-protein kinase | 1 |
Data from ChEMBL 36 via Core Engine