Compound Detail
CHEMBL5782008
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CN(C)CC[C@@H](NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL5782008 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZOXJFOAJQVTTK-LJQANCHMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
456.0
MW (Da)
2.72
ALogP
6
HBA
3
HBD
103.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | IC50 | 8.55 | 8.115 | 2.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 2.8 | nM | 8.55 | In Vitro AKT1 Kinase Assay: Following addition of compound or control to the ass... | - |
| RAC-alpha serine/threonine-protein kinase | IC50 | = | 21.0 | nM | 7.68 | In Vitro AKT1 Kinase Assay: This assay detects inhibitors of AKT1 (PKBα) kinase ... | - |
Data from ChEMBL 36 via Core Engine